5-nitrosalicylic acid
Structural formula
| Business number | 02BP |
|---|---|
| Molecular formula | C7H5NO5 |
| Molecular weight | 183.12 |
| label |
2-Hydroxy-5-nitrobenzoic acid, 2-Hydroxy-5-nitro-benzoic acid |
Numbering system
CAS number:96-97-9
MDL number:MFCD00007338
EINECS number:202-548-8
RTECS number:None
BRN number:2213719
PubChem number:24854897
Physical property data
1. Properties: light yellow crystal.
2. Density (g/mL, 20℃): 1.65
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 228-230
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated vapor pressure (kPa, 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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in alcohol and ether.
Toxicological data
None
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 41.61
2. Molar volume (cm3/mol): 112.2
3. Isotonic specific volume (90.2K ): 339.8
4. Surface tension (dyne/cm): 84.1
5. Polarizability (10-24cm3): 16.49
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 4
6. Topological molecule polar surface area 103
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 223
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
Avoid contact with oxides.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
It is produced by nitrification of salicylic acid with nitric acid.
Purpose
Used as pharmaceutical and dye intermediates.
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