4-nitroquinoline N-oxide

4-nitroquinoline N-oxide structural formula

4-nitroquinoline N-oxide structural formula

Structural formula

Business number 017S
Molecular formula C9H6N2O3
Molecular weight 190.16
label

1-Oxo-4-nitroquinoline,

4-Nitroquinoline N-oxide

Numbering system

CAS number:56-57-5

MDL number:MFCD00006738

EINECS number:200-281-1

RTECS number:VC2100000

BRN number:165756

PubChem number:24897854

Physical property data

1. Character: light yellow-brown flake Or needle crystals.


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


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


4. Melting point ( ºC): 151153 ℃(156157℃).


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): Undetermined


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


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. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined


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


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


19. Solubility: Undetermined.

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 71.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 229

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 kept sealed.

Synthesis method

Nitration of quinoline with sulfuric acid and nitric acid-N-Oxide.

Purpose

For cancer research. Used in organic synthesis. An effective preservative��But it has carcinogenic effects.

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