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2-Methoxy-4-Nitroaniline
CAS: 97-52-9 | C7H8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-52-9
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.152 g/mol
Names and Synonyms:
2-Methoxy-4-Nitroaniline
Common Name
o-Methoxy-p-nitroaniline
Synonym
NSC 4130
Synonym
4-Nitro-2-methoxyaniline
Synonym
3-Methoxy-4-aminonitrobenzene
Synonym
3-Nitro-6-aminoanisole
Synonym
Fast Red B-T Base
Synonym
2-Amino-1-methoxy-5-nitrobenzene
Synonym
p-Nitro-o-anisidine
Synonym
Azoamine Pink O
Synonym
4-Nitro-6-methoxyaniline
Synonym
4-Nitro-o-anisidine
Synonym
2-Amino-5-nitroanisole
Synonym
1-Amino-2-methoxy-4-nitrobenzene
Synonym
4-Amino-3-methoxynitrobenzene
Synonym
2-Methoxy-4-nitroaniline
Synonym
Symulon Red B Base
Synonym
Showa Fast Red B Base
Synonym
Shinnippon Fast Red B Base
Synonym
Sanyo Fast Red B Base
Synonym
Red Base NB
Synonym
Red Base Irga V
Synonym
Red Base Ciba V
Synonym
Red B Base
Synonym
PNOA
Synonym
Naphtoelan Red B Base
Synonym
Naphthanil Red B Base
Synonym
Mitsui Red B Base
Synonym
Kayaku Red B Base
Synonym
Kako Red B Base
Synonym
Hiltonil Fast Red B Base
Synonym
Fast Red 5NA Base
Synonym
Fast Red Base B
Synonym
Diabase Red B
Synonym
Devol Red E
Synonym
Daito Red Base B
Synonym
Dainichi Fast Red B Base
Synonym
Brentamine Fast Red B Base
Synonym
Azoene Fast Red B Base
Synonym
Amarthol Fast Red B Base
Synonym
C.I. 37125
Synonym
2-Methoxy-4-nitrobenzenamine
Synonym
Fast Red B Base
Synonym
o-Anisidine, 4-nitro-
Synonym
Benzenamine, 2-methoxy-4-nitro-
Synonym
Identifiers:
SMILES:
COc1cc([N+](=O)[O-])ccc1N
InChI:
InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/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 |
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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=C(N)C(OC)=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GVBHRNIWBGTNQA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 136-139 °C None | Legacy Database |
| cas-name | 2-Methoxy-4-nitroaniline None | Legacy Database |
| LogP | 1.1855999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 168.152 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 | 44.060800000000015 | RDKit |