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Molecule
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
Identifiers
CAS Registry Number
96-96-8
SMILES
COc1ccc(N)c([N+](=O)[O-])c1
InChI Key
QFMJFXFXQAFGBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
Names and Synonyms
- 4-Methoxy-2-Nitroaniline Systematic Name
- Benzenamine, 4-methoxy-2-nitro- Synonym
- p-Anisidine, 2-nitro- Synonym
- 4-Methoxy-2-nitrobenzenamine Synonym
- Amarthol Fast Bordeaux GP Base Synonym
- Amarthol Fast Bordeaux GP Salt Synonym
- Atul Fast Bordeaux GP Base Synonym
- Azobase NAS Synonym
- Azoene Fast Bordeaux GP Base Synonym
- Azoene Fast Bordeaux GP Salt Synonym
- Azofix Bordeaux GP Synonym
- Azogene Fast Bordeaux G Synonym
- Bordeaux Base Ciba IV Synonym
- Bordeaux Base Irga IV Synonym
- Bordeaux Base NGP Synonym
- Bordeaux GP Base Synonym
- Bordeaux GP Salt Synonym
- Bordeaux GPS Salt Synonym
- Bordeaux Salt Ciba IV Synonym
- Bordeaux Salt NGP Synonym
- Brentamine Fast Bordeaux GP Base Synonym
- Daito Bordeaux Base GP Synonym
- Daito Bordeaux Salt GP Synonym
- Devol Bordeaux B Synonym
- Devol Bordeaux GP Salt Synonym
- Diabase Bordeaux GP Synonym
- Diasalt Bordeaux GP Synonym
- Durgasol Bordeaux GP Salt Synonym
- Fast Bordeaux Base J Synonym
- Fast Bordeaux Base GP Synonym
- Fast Bordeaux GDN Synonym
- Fast Bordeaux 3NA Base Synonym
- Fast Bordeaux GP Synonym
- Fast Bordeaux GP Base Synonym
- Fast Bordeaux Salt J Synonym
- Fast Bordeaux Salt GP Synonym
- Fast Bordeaux Salt GPN Synonym
- Hansol Bordeaux GP Salt Synonym
- Hiltonil Fast Bordeaux GP Base Synonym
- Hiltosal Fast Bordeaux GP Salt Synonym
- Hindasol Bordeaux GP Salt Synonym
- Kako Bordeaux GP Base Synonym
- Kako Bordeaux GP Salt Synonym
- Kayaku Fast Bordeaux GP Base Synonym
- Kayaku Fast Bordeaux Salt GP Synonym
- Mitsui Bordeaux GP Base Synonym
- Mitsui Bordeaux GP Salt Synonym
- Naphthanil Bordeaux GP Base Synonym
- Naphthanil Diazo Bordeaux GP Synonym
- Naphtoelan Fast Bordeaux GP Base Synonym
- Naphtoelan Fast Bordeaux GP Salt Synonym
- Natasol Bordeaux GP Salt Synonym
- Pharmasol Bordeaux GP Synonym
- Pharmazoid Bordeaux GP Synonym
- Sanyo Fast Bordeaux GP Base Synonym
- Sanyo Fast Bordeaux Salt GP Synonym
- Shinnippon Fast Bordeaux GP Base Synonym
- Sugai Fast Bordeaux GP Base Synonym
- Symulon Bordeaux GP Base Synonym
- Tulabase Fast Bordeaux GP Synonym
- 4-Methoxy-2-nitroaniline Synonym
- 2-Nitro-p-anisidine Synonym
- 2-Nitro-4-methoxyaniline Synonym
- 4-Amino-3-nitroanisole Synonym
- 3-Nitro-4-aminoanisole Synonym
- Fast Bordeaux GDN base Synonym
- Lake Maroon B base Synonym
- Naphthosol Fast Bordeaux GP Salt Synonym
- Acco Fast Bordeaux GP salt Synonym
- Fast Bordeaux GP-T Base Synonym
- 1-Amino-2-nitro-4-methoxybenzene Synonym
- 4-Methoxy-o-nitroaniline Synonym
- 4-Amino-1-methoxy-3-nitrobenzene Synonym
- o-Nitro-p-anisidine Synonym
- 4-Methoxy-2-nitrophenylamine Synonym
- NSC 5509 Synonym
- 2-Nitro-4-methoxybenzenamine Synonym
- p-Methoxy-o-nitroaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.15 g/mol | CAS Common Chemistry |
| 168.15200000000002 g/mol | RDKit | |
| 168.152 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 |
| 73.55 Ų | chempirical lib | |
| LogP | 1.1855999999999998 | RDKit |
| 1.1856 | RDKit | |
| Molar Refractivity | 44.06080000000001 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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| 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.
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MW = 168.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8N2O3.
