Back to Search
Molecule
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
Identifiers
CAS Registry Number
87-63-8
SMILES
Cc1cccc(Cl)c1N
InChI Key
WFNLHDJJZSJARK-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
Names and Synonyms
- 2-Chloro-6-Methylaniline Systematic Name
- Benzenamine, 2-chloro-6-methyl- Synonym
- o-Toluidine, 6-chloro- Synonym
- 2-Chloro-6-methylbenzenamine Synonym
- 2-Amino-3-chlorotoluene Synonym
- 3-Chloro-2-aminotoluene Synonym
- 6-Chloro-o-toluidine Synonym
- 2-Chloro-6-methylaniline Synonym
- 2-Methyl-6-chloroaniline Synonym
- 6-Chloro-2-methylaniline Synonym
- (2-Chloro-6-methylphenyl)amine Synonym
- NSC 60121 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.60 g/mol | CAS Common Chemistry |
| 141.601 g/mol | RDKit | |
| 141.598 g/mol | chempirical lib | |
| 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 |
| 2.2306 | RDKit | |
| Molar Refractivity | 40.601400000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 141.034526936 g/mol | RDKit |
| Boiling Point | 96-99 °C @ 10 Torr | CAS Common Chemistry |
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 = 141.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8ClN.
