4-Methyl-3-nitroaniline
Structural formula
| Business number | 03AQ |
|---|---|
| Molecular formula | C7H8N2O2 |
| Molecular weight | 152.15 |
| label |
3-Nitro-4-methylaniline, 3-Nitro-p-toluidine, 4-Amino-2-nitro-toluene, CH3C6H3(NO2)NH2, aromatic compounds |
Numbering system
CAS number:119-32-4
MDL number:MFCD00007910
EINECS number:204-314-0
RTECS number:XU8227000
BRN number:638984
PubChem number:24869534
Physical property data
1. Characteristics: Orange-red needle-shaped crystals.
2. Density (g/mL,25℃): 1.312
3. Relative vapor density (g/mL,air =1): 5.80
4. Melting point (ºC): 77～79
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 12mmHg): Not determined
7. Refractive index: Undetermined
8. Flashpoint (ºC):157
9. Specific rotation (º): Undetermined
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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
2, Molar volume (m 3/mol）：119.8
3、 Isotonic specific volume (90.2K) ：326.2
4, Surface Tension (dyne/cm):54.9
5、 Polarizability (10-24cm3):16.59
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: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 71.8
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 155
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 oxidants, acids, acid anhydrides, and acid chlorides.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, acids, acid anhydrides and acid chlorides, and avoid mixed storage. Equipped with corresponding varieties
and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
For dye synthesis.
�; mso-font-kerning: 0pt; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Polarizability (10-24cm3 ):16.59
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: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 71.8
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 155
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 oxidants, acids, acid anhydrides, and acid chlorides.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, acids, acid anhydrides and acid chlorides, and avoid mixed storage. Equipped with corresponding varieties
and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
For dye synthesis.
