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4-Methyl-2-Nitroaniline
CAS: 89-62-3 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89-62-3
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.15300000000002 g/mol
Names and Synonyms:
4-Methyl-2-Nitroaniline
Synonym
Benzenamine, 4-methyl-2-nitro-
Synonym
p-Toluidine, 2-nitro-
Synonym
4-Methyl-2-nitrobenzenamine
Synonym
C.I. 37110
Synonym
Amarthol Fast Red GL Base
Synonym
Amarthol Fast Red GL Salt
Synonym
Azobase NAT
Synonym
Azoene Fast Red Red GL Salt
Synonym
Azofix Red GL Salt
Synonym
Azoic Diazo Component 8
Synonym
C.I. Azoic Diazo Component 8
Synonym
Devol Red G
Synonym
Devol Red Salt G
Synonym
Diazo Fast Red GL
Synonym
Fast Red G Base
Synonym
Fast Red 3NT Base
Synonym
Fast Red Base GL
Synonym
Fast Red Base JL
Synonym
Fast Red GL
Synonym
Fast Red GL Base
Synonym
Fast Red MGL Base
Synonym
Fast Red 3NT Salt
Synonym
HD Fast Red GL Base
Synonym
Hiltonil Fast Red GL Base
Synonym
Hiltosal Fast Red GL Salt
Synonym
Lake Red G Base
Synonym
Lithosol Scarlet Base M
Synonym
Lithosol Scarlet Base MB
Synonym
Lithosol Scarlet Base MBW
Synonym
Lithosol Scarlet Base MW
Synonym
4-Methyl-2-nitroaniline
Synonym
Mitsui Red GL Base
Synonym
MNPT
Synonym
Naphthanil Red G Base
Synonym
Naphtoelan Fast Red GL Base
Synonym
2-Nitro-p-toluidine
Synonym
Red G Base
Synonym
Red Base Ciba VII
Synonym
Red Base Irga VII
Synonym
Red Base NGL
Synonym
Red G Salt
Synonym
Red Salt Ciba VII
Synonym
Red Salt Irga VII
Synonym
Sanyo Fast Red GL Base
Synonym
Shinnippon Fast Red GL Base
Synonym
Toyo Fast Red GL Base
Synonym
Tulabase Fast Red GL
Synonym
2-Nitro-4-methylaniline
Synonym
Azoamine Red A
Synonym
1-Amino-2-nitro-4-methylbenzene
Synonym
4-Amino-3-nitrotoluene
Synonym
3-Nitro-4-aminotoluene
Synonym
4-Methyl-6-nitroaniline
Synonym
4-Methyl-o-nitroaniline
Synonym
o-Nitro-p-methylaniline
Synonym
NSC 2759
Synonym
(4-Methyl-2-nitrophenyl)amine
Synonym
F. Red Gl Base
Synonym
Conazoic Diazo M
Synonym
Dycosbase Red GL Base
Synonym
Azobase Red NAT
Synonym
p-Methyl-o-nitroaniline
Synonym
Identifiers:
SMILES:
Cc1ccc(N)c([N+](=O)[O-])c1
InChI:
InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 152.15300000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 152.058577496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 69.16 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.48542 | RDKit |
| molecular_mass | 152.15 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC(=CC=C1N)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DLURHXYXQYMPLT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 116.3 °C None | Legacy Database |
| cas-name | 4-Methyl-2-nitroaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.24580000000001 | RDKit |