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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
p-Methoxy-o-nitroaniline
2-Nitro-4-methoxybenzenamine
NSC 5509
4-Methoxy-2-nitrophenylamine
o-Nitro-p-anisidine
4-Amino-1-methoxy-3-nitrobenzene
4-Methoxy-o-nitroaniline
1-Amino-2-nitro-4-methoxybenzene
Fast Bordeaux GP-T Base
Acco Fast Bordeaux GP salt
Naphthosol Fast Bordeaux GP Salt
Lake Maroon B base
Fast Bordeaux GDN base
3-Nitro-4-aminoanisole
4-Amino-3-nitroanisole
2-Nitro-4-methoxyaniline
2-Nitro-p-anisidine
4-Methoxy-2-nitroaniline
Tulabase Fast Bordeaux GP
Symulon Bordeaux GP Base
Sugai Fast Bordeaux GP Base
Shinnippon Fast Bordeaux GP Base
Sanyo Fast Bordeaux Salt GP
Sanyo Fast Bordeaux GP Base
Pharmazoid Bordeaux GP
Pharmasol Bordeaux GP
Natasol Bordeaux GP Salt
Naphtoelan Fast Bordeaux GP Salt
Naphtoelan Fast Bordeaux GP Base
Naphthanil Diazo Bordeaux GP
Naphthanil Bordeaux GP Base
Mitsui Bordeaux GP Salt
Mitsui Bordeaux GP Base
Kayaku Fast Bordeaux Salt GP
Kayaku Fast Bordeaux GP Base
Kako Bordeaux GP Salt
Kako Bordeaux GP Base
Hindasol Bordeaux GP Salt
Hiltosal Fast Bordeaux GP Salt
Hiltonil Fast Bordeaux GP Base
Hansol Bordeaux GP Salt
Fast Bordeaux Salt GPN
Fast Bordeaux Salt GP
Fast Bordeaux Salt J
Fast Bordeaux GP Base
Fast Bordeaux GP
Fast Bordeaux 3NA Base
Fast Bordeaux GDN
Fast Bordeaux Base GP
Fast Bordeaux Base J
Durgasol Bordeaux GP Salt
Diasalt Bordeaux GP
Diabase Bordeaux GP
Devol Bordeaux GP Salt
Devol Bordeaux B
Daito Bordeaux Salt GP
Daito Bordeaux Base GP
Brentamine Fast Bordeaux GP Base
Bordeaux Salt NGP
Bordeaux Salt Ciba IV
Bordeaux GPS Salt
Bordeaux GP Salt
Bordeaux GP Base
Bordeaux Base NGP
Bordeaux Base Irga IV
Bordeaux Base Ciba IV
Azogene Fast Bordeaux G
Azofix Bordeaux GP
Azoene Fast Bordeaux GP Salt
Azoene Fast Bordeaux GP Base
Azobase NAS
Atul Fast Bordeaux GP Base
Amarthol Fast Bordeaux GP Salt
Amarthol Fast Bordeaux GP Base
4-Methoxy-2-nitrobenzenamine
p-Anisidine, 2-nitro-
Benzenamine, 4-methoxy-2-nitro-
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1855999999999998 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.06080000000001 | RDKit |
