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Molecule
2-Methoxy-4-Nitroaniline
CAS: 97-52-9 · C7H8N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 97-52-9
- Molecular Formula
- C7H8N2O3
- Molecular Mass
- 168.15 g/mol
Identifiers
CAS Registry Number
97-52-9
SMILES
COc1cc([N+](=O)[O-])ccc1N
InChI Key
GVBHRNIWBGTNQA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
Names and Synonyms
- 2-Methoxy-4-Nitroaniline Systematic Name
- Benzenamine, 2-methoxy-4-nitro- Synonym
- o-Anisidine, 4-nitro- Synonym
- Fast Red B Base Synonym
- 2-Methoxy-4-nitrobenzenamine Synonym
- C.I. 37125 Synonym
- Amarthol Fast Red B Base Synonym
- Azoene Fast Red B Base Synonym
- Brentamine Fast Red B Base Synonym
- Dainichi Fast Red B Base Synonym
- Daito Red Base B Synonym
- Devol Red E Synonym
- Diabase Red B Synonym
- Fast Red Base B Synonym
- Fast Red 5NA Base Synonym
- Hiltonil Fast Red B Base Synonym
- Kako Red B Base Synonym
- Kayaku Red B Base Synonym
- Mitsui Red B Base Synonym
- Naphthanil Red B Base Synonym
- Naphtoelan Red B Base Synonym
- PNOA Synonym
- Red B Base Synonym
- Red Base Ciba V Synonym
- Red Base Irga V Synonym
- Red Base NB Synonym
- Sanyo Fast Red B Base Synonym
- Shinnippon Fast Red B Base Synonym
- Showa Fast Red B Base Synonym
- Symulon Red B Base Synonym
- 2-Methoxy-4-nitroaniline Synonym
- 4-Amino-3-methoxynitrobenzene Synonym
- 1-Amino-2-methoxy-4-nitrobenzene Synonym
- 2-Amino-5-nitroanisole Synonym
- 4-Nitro-o-anisidine Synonym
- 4-Nitro-6-methoxyaniline Synonym
- Azoamine Pink O Synonym
- p-Nitro-o-anisidine Synonym
- 2-Amino-1-methoxy-5-nitrobenzene Synonym
- Fast Red B-T Base Synonym
- 3-Nitro-6-aminoanisole Synonym
- 3-Methoxy-4-aminonitrobenzene Synonym
- 4-Nitro-2-methoxyaniline Synonym
- NSC 4130 Synonym
- o-Methoxy-p-nitroaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.15 g/mol | CAS Common Chemistry |
| 168.152 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 |
| 73.55 Ų | chempirical lib | |
| LogP | 1.1855999999999998 | RDKit |
| 1.1856 | RDKit | |
| Molar Refractivity | 44.060800000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 168.053492116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 168.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8N2O3.
