propantheline bromide

Propantheline bromide structural formula

Structural formula

Business number 013K
Molecular formula C23H30NO3Br
Molecular weight 448.4
label

propantheline bromide,

Prubenzin,

Propanthyl bromide,

(2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate

Numbering system

CAS number:50-34-0

MDL number:MFCD00050291

EINECS number:200-030-6

RTECS number:BP8249200

BRN number:None

PubChem number:24278660

Physical property data

1. Character:White or off-white crystalline powder. Odorless and extremely bitter.


2. Density (g/mL ,25/4): Undetermined


3. Relative vapor density (g/mL,air=1): Undetermined


4. Melting point (ºC):159-161°C


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC, 5.2 kPa): Undetermined


7. Refractive index:Undetermined


8. Flash point (ºC): Undetermined


9. Specific optical rotation (º ): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa, 25 ºC): Undetermined


12. Saturated vapor pressure (kPa,60 ºC): Undetermined


13. Heat of combustion (KJ/ mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/ Log value of partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%, V/V): Undetermined


19. Solubility:Easily soluble in water(>=10 g/100 mL at 21 ºC), ethanol or chloroform, insoluble In ether.


Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 28

8. Surface charge: 0

9. Complexity: 474

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product is sealed and stored in a dry place away from light.

Synthesis method

Xanton-9-Carboxylic acid and diisopropylaminoethanol ester in xylene��, on137-140Dehydration reaction10h. After the reaction is completed, add activated carbon for decolorization and cool to 0, pressure filtration, and the filtrate is decompressed to recover xylene and excess Diisopropylaminoethanol, xanthene-9- Carboxylic acid-β-Diisopropylaminoethyl ester. Then react with methyl bromide to form a quaternary ammonium salt to prepare propantheline bromide.

Purpose

anticholinergic and antispasmodic, Has similar effects to atropine. It is suitable for gastric and duodenal ulcers, gastritis, pancreatitis, intestinal spasm, hyperhidrosis and pregnancy vomiting.

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phenylbutazone

Phenylbutazone Structural Formula

Structural formula

Business number 013J
Molecular formula C19H20N2O2
Molecular weight 308.38
label

phenylbutazone,

4-Butyl-1,2-diphenyl-3,5-pyrrolidinedione,

Butanone,

Butazolidine,

Buteqian,

Benzodizoline,

4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione,

Phenylbutazone

Numbering system

CAS number:50-33-9

MDL number:MFCD00005500

EINECS number:200-029-0

RTECS number:UQ8225000

BRN number:290080

PubChem number:24277729

Physical property data

1. Properties: white or off-white crystalline powder. Odorless, slightly bitter taste

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): 104-107 °C

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical Temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

p>

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Dissolution Properties: Easily soluble in acetone, chloroform or benzene, soluble in ethanol or ether, almost insoluble in water (<0.1 g/100 mL at 23.5 ºC), soluble in sodium hydroxide solution

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 88.7

2. Molar volume (cm3/mol): 262.7

3. Isotonic specific volume (90.2K ): 689.4

4. Surface tension (dyne/cm): 47.3

5. Polarizability (10-24cm3): 35.16

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 2

6. Topological molecule polar surface area 40.6

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 389

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

None

Purpose

Organic synthesis. medicine.

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Ampicillin

Ampicillin Structural Formula

Structural formula

Business number 01FP
Molecular formula C16H19N3O4S
Molecular weight 349.4
label

ampicillin,

aminopenicillin,

Phenylbencillin,

Benzanaxide,

Semicillin,

savicillin,

ampicillin anhydrous,

Ampicillin,

(2S,5R,6R)-3,3-dimethyl-6-[(R)-2-amino-2-phenylethylamino]-7-oxo-4-thia-1-azabicyclo[ 3.2.0]Heptane-,

formic acid,

ampicillin,

Ampicillin,

Genetic engineering research reagents

Numbering system

CAS number:69-53-4

MDL number:MFCD00005175

EINECS number:200-709-7

RTECS number:XH8350000

BRN number:1090925

PubChem number:24891442

Physical property data

1. Properties: White crystalline powder. Slightly bitter taste.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 200~202

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º, C= 1, in water): +250±5

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature ( ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in dilute acid and alkali, slightly soluble in water, almost insoluble in chloroform, 96% ethanol, ether and fixed oil.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Moore’s foldRatio: 89.94

2. Molar volume (cm3/mol): 239.3

3. Isotonic specific volume (90.2K): 702.7

4. Surface tension (dyne/cm): 74.3

5. Polarizability (10-24cm3): 35.65

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 4

6. Topological molecule polar surface area 138

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 562

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored dry at 4°C. Valid for 2 and a half years.

Synthesis method

First, the side chain carboxylic acid of D(-)-phenylglycine is treated with the chlorinating agent PCI5. It is made into acid chloride and then condensed with 6-APA. Add acetone and water to the reaction tank, add 6-APA when the temperature reaches -5–10°C, and add phenylglycyl chloride hydrochloride. After 0.5 hours of reaction, adjust the pH to 3.5 with 10% sodium hydroxide. The reactants were extracted with toluene. Take the aqueous layer and adjust the pH value to about 3.0 with 10% ammonia water. Decolorize with activated carbon and filter. The filtrate was then adjusted with ammonia water to make the pH 4.8. Leave to stand, then filter, wash with acetone, and vacuum dry below 40°C to obtain the product.

Purpose

For molecular biology and tissue culture. Broad-spectrum penicillin can be semi-synthesized. This product is not resistant to enzymes, stable to acid, and has low toxicity. It has inhibitory effects on both Gram-negative bacteria and Gram-positive bacteria, and has a strong effect on Escherichia coli, influenzae, Salmonella, Shigella and some Proteus.

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ampicillin sodium

Ampicillin sodium structural formula

Structural formula

Business number 01FN
Molecular formula C16H18N3NaO4S
Molecular weight 371.38
label

ampicillin sodium,

(2S,5R,6R)-3,3-dimethyl-6-[(R)-2-amino-2-phenylacetamido]-7-oxo-4-thia-1-azabicyclo[ 3.2.0]Heptane-2-carboxylic acid sodium salt,

Sodium [2S-[2α,5α,6β(S*)]]-6-(aminophenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate ,

D-(-)-α-Aminobenzylpenicillin sodium salt

Numbering system

CAS number:69-52-3

MDL number:MFCD00064313

EINECS number:200-708-1

RTECS number:XH8400000

BRN number:4119211

PubChem number:24891463

Physical property data

1. Characteristics: White or off-white powder or crystal. Odorless or slightly odorless, slightly bitter in taste.


2. Density ( g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point ( ºC): 205(decomposition)


5. Boiling point ( ºC,Normal pressure): Undetermined


6. Boiling point ( ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º,C0.2, in the water):+209°


10. Autoignition point or ignition temperature (ºC): Not OK


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturation vapor pressure (kPa,60ºC): Undetermined


13. heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical Pressure (KPa): Undetermined


16. Oil and water (octanol/Water) partition coefficient pair Number�:Undetermined


17. Explosion limit (%,V/V): Not OK


18. Lower explosion limit (%,V/V): Not OK


19. Solubility:Yes Hygroscopic. Easily soluble in water, slightly soluble in acetone and ethanol, slightly soluble in chloroform, insoluble in ether.

Toxicological data


Acute toxicity: women’s oral administrationLDLo100 mg/kg/5D ;Rat Oral PeriodLD50>5314 mg/kg;Rat abdominal cavityLD507400 mg/kg ;
Rat subcutaneous injectionLD50>5314 mg/kg; Mouse caliberLD50>5314 mg/kg;Mouse abdominal cavityLD505700 mg/kg;
Mouse subcutaneous injectionLD50>5314 mg/kg; Rat veinLDLo 2657 mg/kg;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Hydrogen Bonding Number of donors: 2


2. Hydrogen Bonding Number of receptors: 5


3. Rotatable Number of chemical bonds: 4


4. Interchange Number of isomers: 2


5. Topological molecules Polar surface area (TPSA):116


6. Heavy atoms Quantity: 25


7. Surface charge :0


8. Complexity :568


9. Isotope atomic number:0


10. Determine the number of atomic stereocenters:4


11. Uncertain number of atomic stereocenters:0


12. Determine the number of stereocenters of chemical bonds:0


13. Uncertain number of chemical bond stereocenters:0


14. Number of covalent bond units: 2

Properties and stability

None

Storage method


This product should be sealed in4Preserve dry. Validity period2year and a half.


Synthesis method

Obtained from the salt formation of ampicillin: suspend ampicillin in water and adjust with sodium hydroxide solutionpHto9, dissolve, filter. Add activated carbon to the filtrate to decolorize, filter, and dry the filtrate at low temperature to obtain the product.

Purpose


For molecular biology and tissue culture (to prevent microbial contamination).


Ampicillin sodium-basedThe bactericidal ingredients in �� act on the active reproduction stage of bacteria and exert a bactericidal effect by inhibiting the biosynthesis of cell wall mucopeptides.

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tuberculin

Tuberculocide structural formula

Structural formula

Business number 01FM
Molecular formula C11H14N4O4
Molecular weight 265.25
label

7-Deazadenosine,

7-.beta.-D-ribofuranosyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine,

4-Amino-7.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine,

Genetic engineering research reagents

Numbering system

CAS number:69-33-0

MDL number:MFCD00056012

EINECS number:200-703-4

RTECS number:UY8870000

BRN number:38498

PubChem number:24899902

Physical property data

1. Character:White needle crystal


2. Density (g/mL,25/4): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC):247248℃ (decomposition)


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC, 5.2kPa): Unsure


7. Refractive index:Not sure


8. Flash Point (ºC): Unsure


9. Specific optical rotation (º):-67 º, c=1,50%acetic acid


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


12. Saturated vapor pressure (kPa,60ºC): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion limit (%,V/V): Unsure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility:1gsoluble in330mlWater, 200mlMethanol and2000mlIn ethanol, insoluble in acetone , ethyl acetate, chloroform, benzene and petroleum ether

Toxicological data

Acute toxicity: Rat oral LD50: 16 mg/kg; Rat abdominal cavity LD50 : 1 mg/kg;


Mouse oral LD50: 28320 ug/kg; mouse abdominal cavity LD50: 6 mg/kg;


Mouse veinLD50: 45 ug/kg; Dog oral LDLo48 mg/kg; Dog VeinLDLo: 48 mg/kg;
Mutagenic: mouse leukocytesDNA Suppress test system:5400 ug/L;Mouse leukocyte change test system: 290 ug/L;
  Mouse abdominal cavityDominant lethal test500 ug/kg;Rabbit KidneyDNA Suppression test system:18ug/L;
 Rabbit KidneyDNAChange test system (test system not unless otherwise specified):30 ug/L;

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 61.51


2. Molar volume (m3/mol):139.5


3. isotonic specific volume (90.2K):431.6


4. Surface Tension (dyne/cm):91.5


5. Polarizability10-24cm3): 24.38

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP):-1.3


2. Hydrogen Bonding Number of donors: 4


3. Hydrogen Bonding Number of receptors: 7


4. Rotatable Number of chemical bonds: 2


5. Interchange Number of isomers: 4


6. Topological molecular polarity Surface area (TPSA): 127


7. Heavy atoms Quantity: 19


8. Surface charge :0


9. Complexity :334


10. Isotope atomic number:0


11. Determine the number of atomic stereocenters:4


12. Uncertain number of atomic stereocenters:0


13. Determine the number of stereocenters of chemical bonds:0


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

To Mycobacterium tuberculosisBCGMinimum inhibitory concentration MICLess than1μg/ml, 5μg/mlSuppress miceNFSarcoma cells, inhibit sarcoma in animals180, Ehrlich ascites carcinoma is also responsible for Pyroplasma oryzae and Candida albicans There is a weak inhibitory effect.

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Benzo(a)pyrene

Benzo(a)pyrene structural formula

Structural formula

Business number 013H
Molecular formula C20H12
Molecular weight 252.31
label

Benzo[A]pyrene,

Benzo(a)pyrene,

3,4-benzopyrene,

Benzopyrene,

1,2-benzopyrene,

Benzopyrene standard,

Benzo(A)pyrene (standard sample),

3,4-Benzopyrene,

Benzo[def]chrysene,

1,2-Benzopyrene,

Aromatic hydrocarbons

Numbering system

CAS number:50-32-8

MDL number:MFCD00003602

EINECS number:200-028-5

RTECS number:DJ3675000

BRN number:1911333

PubChem number:24891610

Physical property data

1. Properties: yellow to brown powder.

2. Density (g/mL, 25/4℃): 1.286

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 177-180

5. Boiling point (ºC, normal pressure): 495

6. Boiling point (ºC, 5.2 kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 495°C

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): 0.665×10-19 kPa

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Insoluble in water , slightly soluble in ethanol, methanol, soluble in benzene, toluene, xylene, chloroform, ether, acetone, etc.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 90.30

2. Molar volume (cm3/mol): 196.0

3. Isotonic specific volume (90.2K ): 553.5

4. Surface tension (dyne/cm): 63.4

5. Polarizability (10-24cm3): 35.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 372

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills. The “five pairs” management system for extremely toxic substances should be strictly implemented.

Synthesis method

None

Purpose

1. Histochemical determination of lipids (blue or blue-white fluorescence, fades quickly, cannot be used as a permanent specimen). Cancer research.

2. Often used as a pollution indicator substance for carcinogenic polycyclic aromatic hydrocarbons in the environment.

3. It has no production or use value in industry and is generally only discharged with waste as a by-product formed during the production process.

4. Used to calibrate instruments and devices.

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Chloroisoindolium ammonium diiodide

Structural formula of chloroisoindolyl ammonium diiodide

Structural formula

Business number 01FL
Molecular formula C34H20N2Cl4I2
Molecular weight 611.95
label

Chloroisoindolyl ammonium chloride,

Indolinium tetrachloride,

Soundalonium chloride

Numbering system

CAS number:69-27-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white solid


2. Density (g/mL,25/4): Unsure


3. Relative vapor density (g/mL,Air=1): Unsure


4. Melting point (ºC): Unsure


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC, 5.2kPa): Unsure


7. Refractive index:Not sure


8. Flash point (ºC): Unsure


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


12. Saturated vapor pressure (kPa,60��C): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion upper limit (%,V/V): Unsure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility:H2O: ~3.75 mg/mL

Toxicological data

Acute toxicity: Rat oral LD50: 300 mg/kg; Rat intravenous LD50 28 mg/kg


Mouse oral LD50: 380 mg/kg; Mouse abdominal cavityLD5062 mg/kg;
 Mouse subcutaneous injection LD50: 240 mg/kg; mouse intravenous LD50 SPAN>:28 mg/kg;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 336

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

For biochemical research and organic synthesis.

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2,6-Dichlorobenzoic acid

2,6-Dichlorobenzoic acid structural formula

Structural formula

Business number 013G
Molecular formula C7H4Cl2O2
Molecular weight 191.01
label

2,6-Dichlorobenzoic acid,

2,6-Dichlorobenzoic acid,

Cl2C6H3CO2H

Numbering system

CAS number:50-30-6

MDL number:MFCD00002418

EINECS number:200-025-9

RTECS number:DG7000000

BRN number:973858

PubChem number:24893961

Physical property data

1. Properties: White to slightly yellow powder or needle-like crystals

2. Density (g/mL, 25/4℃): Undetermined

3. Relative steam Density (g/mL, air=1): Undetermined

4. Melting point (ºC): 144°C (lit.)

5. Boiling point (ºC, normal pressure) : Undetermined

6. Boiling point (ºC, 5.2 kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC) : Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11 . Vapor pressure (kPa, 25 ºC): Not determined

12. Saturation vapor pressure (kPa, 60 ºC): Not determined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the distribution coefficient (water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, ether, acetone, fluoroform. Water solubility 0.1-1 g/100 mL at 19 ºC

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1500mg/kg; mouse abdominal LD50: 316mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm3/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7、  Number of heavy atoms: 11

8, Surface charge: 0

9, Complexity: 151

10, Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

None

Purpose

Synthetic medicines and pesticides.

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Fluphenazine

Fluphenazine Structural Formula

Structural formula

Business number 01FK
Molecular formula C22H26F3N3OS
Molecular weight 437.52
label

fluphenazine,

Hydroxyflupromazine,

flupheperazine,

guitarmycin

Numbering system

CAS number:69-23-8

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: dark brown viscous oil

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g /mL, air=1): Uncertain

4. Melting point (ºC): 225~227 (decomposition).

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition Combustion temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Easily soluble in water, slightly soluble in methanol, slightly soluble in ethanol and chloroform, almost insoluble in benzene and Ether. Hygroscopic

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: 100 mg/kg; Rat subcutaneous injection LD50: 640 mg/kg; Mouse oral LD50: 220 mg/kg; Mouse intraperitoneal LD50: 89 mg/kg; Mouse intravenous LD50: 51 mg/kg; Breeding: Rat oral TDLo: 62 mg/kgSEX/DURATION: female 9 day(s) pre-mating female 1-22 day(s) after conception; Rat oral TDLo: 18 mg/kgSEX /DURATION: female 9 day(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 114.30

2. Molar volume (cm3/mol): 343.8

3. Isotonic specific volume (90.2K ): 885.9

4. Surface tension (dyne/cm): 44.0

5. Polarizability (10-24cm3): 45.31

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 55.2

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 544

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in an airtight container away from light.

Synthesis method

It is produced by alkylation of hydroxyethylpiperazine and bromochloropropane and then condensation with 2-trifluoromethylphenothiazine to form a salt. It can also be obtained by condensation, elimination, cyclization, etc. of m-trifluoromethylaniline.

Purpose

Antipsychotics. It is clinically used for catatonic and paranoid schizophrenia, and is more effective than chlorpromazine for chronic schizophrenia. Preparations include tablets and injections

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Chlopromazine hydrochloride

Structural formula of chlorpromazine hydrochloride

Structural formula

Business number 01FJ
Molecular formula C17H20Cl2N2S
Molecular weight 355.34
label

2-Chloro-10-(3-dimethylaminopropyl)phenothiazine hydrochloride,

hibernation spirit,

Colagent,

Chlorpromazine,

aminazine,

chlorpromazine,

Chlorpromazine hydrochloride,

Hibernating phosphorus,

C17H19ClN2S·HCl

Numbering system

CAS number:69-09-0

MDL number:MFCD00012654

EINECS number:200-701-3

RTECS number:200-701-3

BRN number:3779989

PubChem number:24277891

Physical property data

1. Character:White or milky white crystalline powder, hygroscopic, slightly odorous, extremely bitter in taste, easily oxidized in air or Gradates to reddish brown in sunlight


2. Density (g/mL,25/4): Unsure


3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC):179-180194-196 ).


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC, 5.2kPa): Unsure


7. Refractive index:Not sure


8. Flash point (ºC): Unsure


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): No��determined


11. Vapor pressure (kPa,25ºC): Unsure


12. Saturated vapor pressure (kPa,60ºC): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion limit (%,V/V): Unsure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility:Easily soluble in water, ethanol, chloroform, insoluble in ether and benzene

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 31.8

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 339

10. Isotopic origin�Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

Keep it sealed and protected from light.

Synthesis method

By2-Chlorophenothiazine[92-39-7]Condensation and salt formation. 1.Condensation in reaction Add 2- Chlorophenothiazine and toluene, then add sodium hydroxide, stir and heat to reflux, remove moisture, and in 110℃ dripping1-Chlorine-3-Toluene solution of dimethylaminopropane, the reactant is decompressed to recover toluene to obtain chlorpromazine,C17H19CIN2S,[50-53-3]. 2.Salt Stir and heat chlorpromazine and isopropyl alcohol until 40℃, access dry hydrogen chloride to pH 4-5, and the chlorpromazine hydrochloride is obtained as a salt.

Purpose

has central stabilizing, antiemetic, anticonvulsant, anti- Adrenaline and other effects. Used to treat schizophrenia and mania. Anxiety disorders, mental disorders, nausea, vomiting, etc. It can also be used for artificial hibernation and low-temperature anesthesia.


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