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4-Methoxy-2-Nitroaniline
CAS: 96-96-8 | C7H8N2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
96-96-8
Molecular Formula:
C7H8N2O3
Molecular Mass:
168.15 g/mol
Names and Synonyms:
4-Methoxy-2-Nitroaniline
Benzenamine, 4-methoxy-2-nitro-
p-Anisidine, 2-nitro-
4-Methoxy-2-nitrobenzenamine
Amarthol Fast Bordeaux GP Base
Amarthol Fast Bordeaux GP Salt
Atul Fast Bordeaux GP Base
Azobase NAS
Azoene Fast Bordeaux GP Base
Azoene Fast Bordeaux GP Salt
Azofix Bordeaux GP
Azogene Fast Bordeaux G
Bordeaux Base Ciba IV
Bordeaux Base Irga IV
Bordeaux Base NGP
Bordeaux GP Base
Bordeaux GP Salt
Bordeaux GPS Salt
Bordeaux Salt Ciba IV
Bordeaux Salt NGP
Brentamine Fast Bordeaux GP Base
Daito Bordeaux Base GP
Daito Bordeaux Salt GP
Devol Bordeaux B
Devol Bordeaux GP Salt
Diabase Bordeaux GP
Diasalt Bordeaux GP
Durgasol Bordeaux GP Salt
Fast Bordeaux Base J
Fast Bordeaux Base GP
Fast Bordeaux GDN
Fast Bordeaux 3NA Base
Fast Bordeaux GP
Fast Bordeaux GP Base
Fast Bordeaux Salt J
Fast Bordeaux Salt GP
Fast Bordeaux Salt GPN
Hansol Bordeaux GP Salt
Hiltonil Fast Bordeaux GP Base
Hiltosal Fast Bordeaux GP Salt
Hindasol Bordeaux GP Salt
Kako Bordeaux GP Base
Kako Bordeaux GP Salt
Kayaku Fast Bordeaux GP Base
Kayaku Fast Bordeaux Salt GP
Mitsui Bordeaux GP Base
Mitsui Bordeaux GP Salt
Naphthanil Bordeaux GP Base
Naphthanil Diazo Bordeaux GP
Naphtoelan Fast Bordeaux GP Base
Naphtoelan Fast Bordeaux GP Salt
Natasol Bordeaux GP Salt
Pharmasol Bordeaux GP
Pharmazoid Bordeaux GP
Sanyo Fast Bordeaux GP Base
Sanyo Fast Bordeaux Salt GP
Shinnippon Fast Bordeaux GP Base
Sugai Fast Bordeaux GP Base
Symulon Bordeaux GP Base
Tulabase Fast Bordeaux GP
4-Methoxy-2-nitroaniline
2-Nitro-p-anisidine
2-Nitro-4-methoxyaniline
4-Amino-3-nitroanisole
3-Nitro-4-aminoanisole
Fast Bordeaux GDN base
Lake Maroon B base
Naphthosol Fast Bordeaux GP Salt
Acco Fast Bordeaux GP salt
Fast Bordeaux GP-T Base
1-Amino-2-nitro-4-methoxybenzene
4-Methoxy-o-nitroaniline
4-Amino-1-methoxy-3-nitrobenzene
o-Nitro-p-anisidine
4-Methoxy-2-nitrophenylamine
NSC 5509
2-Nitro-4-methoxybenzenamine
p-Methoxy-o-nitroaniline
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
Key Properties
Melting Point
124 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.15 g/mol | CAS Common Chemistry |
| 168.15200000000002 g/mol | RDKit | |
| 168.053492116 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC(OC)=CC=C1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QFMJFXFXQAFGBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | 4-Methoxy-2-nitroaniline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.39 Ų | RDKit |
| LogP | 1.1855999999999998 | RDKit |
| Molar Refractivity | 44.06080000000001 | RDKit |
