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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
Names and Synonyms:
2-Methyl-6-Nitroaniline
Benzenamine, 2-methyl-6-nitro-
o-Toluidine, 6-nitro-
2-Methyl-6-nitrobenzenamine
6-Methyl-2-nitroaniline
2-Nitro-6-methylaniline
2-Methyl-6-nitroaniline
6-Nitro-o-toluidine
2-Amino-3-nitrotoluene
3-Nitro-2-aminotoluene
1-Amino-2-methyl-6-nitrobenzene
NSC 286
NSC 52218
1-Nitro-2-amino-3-methylbenzene
2-Methyl-6-nitro-phenylamine
Identifiers:
SMILES:
Cc1cccc([N+](=O)[O-])c1N
InChI:
InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
Key Properties
Melting Point
96 °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 | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| 152.058577496 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 |
| LogP | 1.4854199999999997 | RDKit |
| Molar Refractivity | 42.24580000000001 | RDKit |
