Back to Search
Molecule
2-Methyl-6-Nitroaniline
CAS: 570-24-1 · C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 570-24-1
- Molecular Formula
- C7H8N2O2
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
570-24-1
SMILES
Cc1cccc([N+](=O)[O-])c1N
InChI Key
FCMRHMPITHLLLA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
Names and Synonyms
- 2-Methyl-6-Nitroaniline Synonym
- Benzenamine, 2-methyl-6-nitro- Synonym
- o-Toluidine, 6-nitro- Synonym
- 2-Methyl-6-nitrobenzenamine Synonym
- 6-Methyl-2-nitroaniline Synonym
- 2-Nitro-6-methylaniline Synonym
- 2-Methyl-6-nitroaniline Synonym
- 6-Nitro-o-toluidine Synonym
- 2-Amino-3-nitrotoluene Synonym
- 3-Nitro-2-aminotoluene Synonym
- 1-Amino-2-methyl-6-nitrobenzene Synonym
- NSC 286 Synonym
- NSC 52218 Synonym
- 1-Nitro-2-amino-3-methylbenzene Synonym
- 2-Methyl-6-nitro-phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=CC(=C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FCMRHMPITHLLLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | 2-Methyl-6-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 | 1.4854199999999997 | 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
Convert
Quick conversion
MW = 152.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8N2O2.
N-Methyl-4-Nitroaniline
CAS 100-15-2
2,6-Dimethyl-3-Nitropyridine
CAS 15513-52-7
4,6-Dimethyl-5-Pyrimidinecarboxylic Acid
CAS 157335-93-8
6-Amino-4-Methyl-3-Pyridinecarboxylic Acid
CAS 179555-11-4
N-(Hydroxymethyl)Nicotinamide
CAS 3569-99-1
2-Pyridinecarboxylic acid, 3-amino-, methyl ester
CAS 36052-27-4
