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4-Methoxy-2-Nitroaniline
CAS: 96-96-8 | C7H8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-96-8
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.15200000000002 g/mol
Names and Synonyms:
4-Methoxy-2-Nitroaniline
Common Name
p-Methoxy-o-nitroaniline
Synonym
2-Nitro-4-methoxybenzenamine
Synonym
NSC 5509
Synonym
4-Methoxy-2-nitrophenylamine
Synonym
o-Nitro-p-anisidine
Synonym
4-Amino-1-methoxy-3-nitrobenzene
Synonym
4-Methoxy-o-nitroaniline
Synonym
1-Amino-2-nitro-4-methoxybenzene
Synonym
Fast Bordeaux GP-T Base
Synonym
Acco Fast Bordeaux GP salt
Synonym
Naphthosol Fast Bordeaux GP Salt
Synonym
Lake Maroon B base
Synonym
Fast Bordeaux GDN base
Synonym
3-Nitro-4-aminoanisole
Synonym
4-Amino-3-nitroanisole
Synonym
2-Nitro-4-methoxyaniline
Synonym
2-Nitro-p-anisidine
Synonym
4-Methoxy-2-nitroaniline
Synonym
Tulabase Fast Bordeaux GP
Synonym
Symulon Bordeaux GP Base
Synonym
Sugai Fast Bordeaux GP Base
Synonym
Shinnippon Fast Bordeaux GP Base
Synonym
Sanyo Fast Bordeaux Salt GP
Synonym
Sanyo Fast Bordeaux GP Base
Synonym
Pharmazoid Bordeaux GP
Synonym
Pharmasol Bordeaux GP
Synonym
Natasol Bordeaux GP Salt
Synonym
Naphtoelan Fast Bordeaux GP Salt
Synonym
Naphtoelan Fast Bordeaux GP Base
Synonym
Naphthanil Diazo Bordeaux GP
Synonym
Naphthanil Bordeaux GP Base
Synonym
Mitsui Bordeaux GP Salt
Synonym
Mitsui Bordeaux GP Base
Synonym
Kayaku Fast Bordeaux Salt GP
Synonym
Kayaku Fast Bordeaux GP Base
Synonym
Kako Bordeaux GP Salt
Synonym
Kako Bordeaux GP Base
Synonym
Hindasol Bordeaux GP Salt
Synonym
Hiltosal Fast Bordeaux GP Salt
Synonym
Hiltonil Fast Bordeaux GP Base
Synonym
Hansol Bordeaux GP Salt
Synonym
Fast Bordeaux Salt GPN
Synonym
Fast Bordeaux Salt GP
Synonym
Fast Bordeaux Salt J
Synonym
Fast Bordeaux GP Base
Synonym
Fast Bordeaux GP
Synonym
Fast Bordeaux 3NA Base
Synonym
Fast Bordeaux GDN
Synonym
Fast Bordeaux Base GP
Synonym
Fast Bordeaux Base J
Synonym
Durgasol Bordeaux GP Salt
Synonym
Diasalt Bordeaux GP
Synonym
Diabase Bordeaux GP
Synonym
Devol Bordeaux GP Salt
Synonym
Devol Bordeaux B
Synonym
Daito Bordeaux Salt GP
Synonym
Daito Bordeaux Base GP
Synonym
Brentamine Fast Bordeaux GP Base
Synonym
Bordeaux Salt NGP
Synonym
Bordeaux Salt Ciba IV
Synonym
Bordeaux GPS Salt
Synonym
Bordeaux GP Salt
Synonym
Bordeaux GP Base
Synonym
Bordeaux Base NGP
Synonym
Bordeaux Base Irga IV
Synonym
Bordeaux Base Ciba IV
Synonym
Azogene Fast Bordeaux G
Synonym
Azofix Bordeaux GP
Synonym
Azoene Fast Bordeaux GP Salt
Synonym
Azoene Fast Bordeaux GP Base
Synonym
Azobase NAS
Synonym
Atul Fast Bordeaux GP Base
Synonym
Amarthol Fast Bordeaux GP Salt
Synonym
Amarthol Fast Bordeaux GP Base
Synonym
4-Methoxy-2-nitrobenzenamine
Synonym
p-Anisidine, 2-nitro-
Synonym
Benzenamine, 4-methoxy-2-nitro-
Synonym
Identifiers:
SMILES:
COc1ccc(N)c([N+](=O)[O-])c1
InChI:
InChI=1S/C7H8N2O3/c1-12-5-2-3-6(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 | 168.15 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC(OC)=CC=C1N None | Legacy Database |
| cas-inchi | InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QFMJFXFXQAFGBO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 124 °C None | Legacy Database |
| cas-name | 4-Methoxy-2-nitroaniline None | Legacy Database |
| LogP | 1.1855999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 168.15200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 168.053492116 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 78.39 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.06080000000001 | RDKit |