2-Methyl-6-nitroaniline
Structural formula
| Business number | 05U0 |
|---|---|
| Molecular formula | C7H8N2O2 |
| Molecular weight | 152.15 |
| label |
2-amino-3-nitrotoluene, 6-nitro-2-methylaniline, 6-nitro-o-toluidine, 6-nitro-O-toluidine, 2-Amino-3-nitrotoluene, 6-Nitro-o-toluidine, Medicine |
Numbering system
CAS number:570-24-1
MDL number:MFCD00007744
EINECS number:209-329-6
RTECS number:None
BRN number:1868029
PubChem number:24869568
Physical property data
1. Physical property data
1. Flashpoint (℃）：110
2. Melting point (℃):93-96
3. Solubility:Water-soluble<0.1 g/100 mL at 23°C
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 41.85 2. Molar volume (m3/mol）：119.8 3. isotonic specific volume (90.2K):326.2 4. Surface Tension ():54.9 5. Polarizability（10-24cm3):16.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
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
Properties:
Orange or yellow prismatic crystals. Melting point97℃. Soluble in alcohol, ether and benzene
And chloroform, slightly soluble in water.
Storage method
None
Synthesis method
For o-methylacetanilide70%Nitro-o-methyl obtained by nitration with nitric acid Acetanilide, heated to boiling with concentrated hydrochloric acid, the reaction product is carried out Steam distillation to obtain6-Nitro-o-toluidine, yield About50%.
Purpose
Uses: used in organic synthesis.
