Back to Search
4-Chloro-N-Methylbenzenamine
CAS: 932-96-7 | C7H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
932-96-7
Molecular Formula:
C7H8ClN
Molecular Mass:
141.60 g/mol
Names and Synonyms:
4-Chloro-N-Methylbenzenamine
Benzenamine, 4-chloro-N-methyl-
Aniline, p-chloro-N-methyl-
4-Chloro-N-methylbenzenamine
N-Methyl-4-chloroaniline
p-Chloro-N-methylaniline
4-Chloro-N-methylaniline
N-Methyl-p-chloroaniline
p-(Methylamino)chlorobenzene
N-(4-Chlorophenyl)methylamine
N-(4-Chlorophenyl)-N-methylamine
Identifiers:
SMILES:
CNc1ccc(Cl)cc1
InChI:
InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
Key Properties
Boiling Point
240 °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 | 141.60 g/mol | CAS Common Chemistry |
| 141.601 g/mol | RDKit | |
| 141.034526936 g/mol | RDKit | |
| Boiling Point | 240 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCEYKKJMLOFDSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Chloro-N-methylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.3817000000000004 | RDKit |
| Molar Refractivity | 40.998700000000014 | RDKit |
