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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 Weight:
141.601 g/mol
Names and Synonyms:
2-Chloro-6-Methylaniline
NSC 60121
(2-Chloro-6-methylphenyl)amine
6-Chloro-2-methylaniline
2-Methyl-6-chloroaniline
2-Chloro-6-methylaniline
6-Chloro-o-toluidine
3-Chloro-2-aminotoluene
2-Amino-3-chlorotoluene
2-Chloro-6-methylbenzenamine
o-Toluidine, 6-chloro-
Benzenamine, 2-chloro-6-methyl-
Identifiers:
SMILES:
Cc1cccc(Cl)c1N
InChI:
InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 141.60 g/mol | Legacy Database |
cas-boiling-point | 96-99 °C @ Press: 10 Torr None | Legacy Database |
cas-canonical-smile | ClC1=CC=CC(=C1N)C None | Legacy Database |
cas-inchi | InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=WFNLHDJJZSJARK-UHFFFAOYSA-N None | Legacy Database |
cas-name | 2-Chloro-6-methylaniline None | Legacy Database |
LogP | 2.23062 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 141.601 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 141.034526936 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 9 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 40.601400000000005 | RDKit |