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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
Benzenamine, 4-methyl-2-nitro-
p-Toluidine, 2-nitro-
4-Methyl-2-nitrobenzenamine
C.I. 37110
Amarthol Fast Red GL Base
Amarthol Fast Red GL Salt
Azobase NAT
Azoene Fast Red Red GL Salt
Azofix Red GL Salt
Azoic Diazo Component 8
C.I. Azoic Diazo Component 8
Devol Red G
Devol Red Salt G
Diazo Fast Red GL
Fast Red G Base
Fast Red 3NT Base
Fast Red Base GL
Fast Red Base JL
Fast Red GL
Fast Red GL Base
Fast Red MGL Base
Fast Red 3NT Salt
HD Fast Red GL Base
Hiltonil Fast Red GL Base
Hiltosal Fast Red GL Salt
Lake Red G Base
Lithosol Scarlet Base M
Lithosol Scarlet Base MB
Lithosol Scarlet Base MBW
Lithosol Scarlet Base MW
4-Methyl-2-nitroaniline
Mitsui Red GL Base
MNPT
Naphthanil Red G Base
Naphtoelan Fast Red GL Base
2-Nitro-p-toluidine
Red G Base
Red Base Ciba VII
Red Base Irga VII
Red Base NGL
Red G Salt
Red Salt Ciba VII
Red Salt Irga VII
Sanyo Fast Red GL Base
Shinnippon Fast Red GL Base
Toyo Fast Red GL Base
Tulabase Fast Red GL
2-Nitro-4-methylaniline
Azoamine Red A
1-Amino-2-nitro-4-methylbenzene
4-Amino-3-nitrotoluene
3-Nitro-4-aminotoluene
4-Methyl-6-nitroaniline
4-Methyl-o-nitroaniline
o-Nitro-p-methylaniline
NSC 2759
(4-Methyl-2-nitrophenyl)amine
F. Red Gl Base
Conazoic Diazo M
Dycosbase Red GL Base
Azobase Red NAT
p-Methyl-o-nitroaniline
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 1.48542 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.24580000000001 | RDKit |
