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2-Chloro-6-Methylaniline
CAS: 87-63-8 | C7H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
87-63-8
Molecular Formula:
C7H8ClN
Molecular Mass:
141.60 g/mol
Names and Synonyms:
2-Chloro-6-Methylaniline
Benzenamine, 2-chloro-6-methyl-
o-Toluidine, 6-chloro-
2-Chloro-6-methylbenzenamine
2-Amino-3-chlorotoluene
3-Chloro-2-aminotoluene
6-Chloro-o-toluidine
2-Chloro-6-methylaniline
2-Methyl-6-chloroaniline
6-Chloro-2-methylaniline
(2-Chloro-6-methylphenyl)amine
NSC 60121
Identifiers:
SMILES:
Cc1cccc(Cl)c1N
InChI:
InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
Key Properties
Boiling Point
96-99 °C @ Press: 10 Torr
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 | 141.60 g/mol | CAS Common Chemistry |
| 141.601 g/mol | RDKit | |
| 141.034526936 g/mol | RDKit | |
| Boiling Point | 96-99 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=CC(=C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WFNLHDJJZSJARK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-6-methylaniline | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.23062 | RDKit |
| Molar Refractivity | 40.601400000000005 | RDKit |
