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2,4-Dimethyl-6-Nitroaniline
CAS: 1635-84-3 | C8H10N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1635-84-3
Molecular Formula:
C8H10N2O2
Molecular Mass:
166.18 g/mol
Names and Synonyms:
2,4-Dimethyl-6-Nitroaniline
Benzenamine, 2,4-dimethyl-6-nitro-
2,4-Xylidine, 6-nitro-
2,4-Dimethyl-6-nitrobenzenamine
2-Nitro-4,6-dimethylaniline
4,6-Dimethyl-2-nitroaniline
4-Amino-5-nitro-m-xylene
2,4-Dimethyl-6-nitroaniline
6-Nitro-2,4-xylidine
NSC 9816
2,4-Dimethyl-6-nitro-phenylamine
Identifiers:
SMILES:
Cc1cc(C)c(N)c([N+](=O)[O-])c1
InChI:
InChI=1S/C8H10N2O2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,9H2,1-2H3
Key Properties
Melting Point
68 °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 | 166.18 g/mol | CAS Common Chemistry |
| 166.07422756 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC(=CC(=C1N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VSRYYONYIUUFFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 2,4-Dimethyl-6-nitroaniline | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.7938399999999999 | RDKit |
| Molar Refractivity | 46.98280000000001 | RDKit |
