4-Methyl-3-nitrobenzoic acid 4-Methyl-3-nitrobenzoic acid
Structural formula
| Business number | 02BQ |
|---|---|
| Molecular formula | C8H7NO4 |
| Molecular weight | 181.15 |
| label |
3-nitro-4-methylbenzoic acid, 3-Nitro-4-methylbenzoic acid |
Numbering system
CAS number:96-98-0
MDL number:MFCD00007174
EINECS number:202-549-3
RTECS number:None
BRN number:1874411
PubChem ID:None
Physical property data
1. Appearance: white light yellow powder
2. Density (g/mL, 20℃):
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 187-190
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20.2ºC): Undetermined
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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) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined OK
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 44.55
2. Molar volume (cm3/mol): 130.0
3. Isotonic specific volume (90.2K ): 362.5
4. Surface tension (dyne/cm): 60.3
5. Polarizability (10-24cm3): 17.66
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 83.1
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.
StorageSaving 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
None yet
Purpose
Used as pharmaceutical and dye intermediates.
