4-amino-2-nitrophenol
Structural formula
| Business number | 03AS |
|---|---|
| Molecular formula | C6H6N2O3 |
| Molecular weight | 154.13 |
| label |
4-Hydroxy-3-nitroaniline, H2NC6H3(NO2)OH, Fragrance |
Numbering system
CAS number:119-34-6
MDL number:MFCD00007876
EINECS number:204-316-1
RTECS number:SJ6303000
BRN number:1368435
PubChem number:24869559
Physical property data
1. Properties: red crystal.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 124-128
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
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: Undetermined
Toxicological data
1. Irritation: rabbit empirical standard Drez eye dye test: 100mg/24H severe irritation
2. Acute toxicity: rat oral LD50: 1470mg/kg
Rat intraperitoneal LD50: 302mg/kg
Mouse oral LD50: 1470mg/kg
3. Oncogenicity: Rat oral TDLO: 108gm/kg/2Y- C
Ecological data
Mildly hazardous to water.
Molecular structure data
1. Molar refractive index: 38.91
2. Molar volume (cm3/mol): 101.9
3. Isotonic specific volume (90.2K): 303.6
4. surface tension��（dyne/cm）：78.5
5. Polarizability (10-24cm3): 15.42
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: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 92.1
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 156
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 strong oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire. 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
None yet
