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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 Mass:
168.15 g/mol
Names and Synonyms:
2-Methoxy-4-Nitroaniline
Benzenamine, 2-methoxy-4-nitro-
o-Anisidine, 4-nitro-
Fast Red B Base
2-Methoxy-4-nitrobenzenamine
C.I. 37125
Amarthol Fast Red B Base
Azoene Fast Red B Base
Brentamine Fast Red B Base
Dainichi Fast Red B Base
Daito Red Base B
Devol Red E
Diabase Red B
Fast Red Base B
Fast Red 5NA Base
Hiltonil Fast Red B Base
Kako Red B Base
Kayaku Red B Base
Mitsui Red B Base
Naphthanil Red B Base
Naphtoelan Red B Base
PNOA
Red B Base
Red Base Ciba V
Red Base Irga V
Red Base NB
Sanyo Fast Red B Base
Shinnippon Fast Red B Base
Showa Fast Red B Base
Symulon Red B Base
2-Methoxy-4-nitroaniline
4-Amino-3-methoxynitrobenzene
1-Amino-2-methoxy-4-nitrobenzene
2-Amino-5-nitroanisole
4-Nitro-o-anisidine
4-Nitro-6-methoxyaniline
Azoamine Pink O
p-Nitro-o-anisidine
2-Amino-1-methoxy-5-nitrobenzene
Fast Red B-T Base
3-Nitro-6-aminoanisole
3-Methoxy-4-aminonitrobenzene
4-Nitro-2-methoxyaniline
NSC 4130
o-Methoxy-p-nitroaniline
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
Key Properties
Melting Point
136-139 °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 |
| 168.152 g/mol | RDKit | |
| 168.053492116 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GVBHRNIWBGTNQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136-139 °C | CAS Common Chemistry |
| Name | 2-Methoxy-4-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 | 44.060800000000015 | RDKit |
