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Molecule
4-Methyl-2-Nitroaniline
CAS: 89-62-3 · C7H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89-62-3
- Molecular Formula
- C7H8N2O2
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
89-62-3
SMILES
Cc1ccc(N)c([N+](=O)[O-])c1
InChI Key
DLURHXYXQYMPLT-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
Names and Synonyms
- 4-Methyl-2-Nitroaniline Synonym
- Benzenamine, 4-methyl-2-nitro- Synonym
- p-Toluidine, 2-nitro- Synonym
- 4-Methyl-2-nitrobenzenamine Synonym
- C.I. 37110 Synonym
- Amarthol Fast Red GL Base Synonym
- Amarthol Fast Red GL Salt Synonym
- Azobase NAT Synonym
- Azoene Fast Red Red GL Salt Synonym
- Azofix Red GL Salt Synonym
- Azoic Diazo Component 8 Synonym
- C.I. Azoic Diazo Component 8 Synonym
- Devol Red G Synonym
- Devol Red Salt G Synonym
- Diazo Fast Red GL Synonym
- Fast Red G Base Synonym
- Fast Red 3NT Base Synonym
- Fast Red Base GL Synonym
- Fast Red Base JL Synonym
- Fast Red GL Synonym
- Fast Red GL Base Synonym
- Fast Red MGL Base Synonym
- Fast Red 3NT Salt Synonym
- HD Fast Red GL Base Synonym
- Hiltonil Fast Red GL Base Synonym
- Hiltosal Fast Red GL Salt Synonym
- Lake Red G Base Synonym
- Lithosol Scarlet Base M Synonym
- Lithosol Scarlet Base MB Synonym
- Lithosol Scarlet Base MBW Synonym
- Lithosol Scarlet Base MW Synonym
- 4-Methyl-2-nitroaniline Synonym
- Mitsui Red GL Base Synonym
- MNPT Synonym
- Naphthanil Red G Base Synonym
- Naphtoelan Fast Red GL Base Synonym
- 2-Nitro-p-toluidine Synonym
- Red G Base Synonym
- Red Base Ciba VII Synonym
- Red Base Irga VII Synonym
- Red Base NGL Synonym
- Red G Salt Synonym
- Red Salt Ciba VII Synonym
- Red Salt Irga VII Synonym
- Sanyo Fast Red GL Base Synonym
- Shinnippon Fast Red GL Base Synonym
- Toyo Fast Red GL Base Synonym
- Tulabase Fast Red GL Synonym
- 2-Nitro-4-methylaniline Synonym
- Azoamine Red A Synonym
- 1-Amino-2-nitro-4-methylbenzene Synonym
- 4-Amino-3-nitrotoluene Synonym
- 3-Nitro-4-aminotoluene Synonym
- 4-Methyl-6-nitroaniline Synonym
- 4-Methyl-o-nitroaniline Synonym
- o-Nitro-p-methylaniline Synonym
- NSC 2759 Synonym
- (4-Methyl-2-nitrophenyl)amine Synonym
- F. Red Gl Base Synonym
- Conazoic Diazo M Synonym
- Dycosbase Red GL Base Synonym
- Azobase Red NAT Synonym
- p-Methyl-o-nitroaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.15300000000002 g/mol | RDKit | |
| 152.153 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC(=CC=C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DLURHXYXQYMPLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116.3 °C | CAS Common Chemistry |
| Name | 4-Methyl-2-nitroaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.16 Ų | RDKit |
| 64.32 Ų | chempirical lib | |
| LogP | 1.48542 | RDKit |
| 1.4854 | RDKit | |
| Molar Refractivity | 42.24580000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 152.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 152.15 g/mol. Edit any field — others recompute live.
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