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2-Chloro-4-Methylaniline
CAS: 615-65-6 | C7H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
615-65-6
Molecular Formula:
C7H8ClN
Molecular Mass:
141.60 g/mol
Names and Synonyms:
2-Chloro-4-Methylaniline
Benzenamine, 2-chloro-4-methyl-
p-Toluidine, 2-chloro-
2-Chloro-4-methylbenzenamine
2-Chloro-p-toluidine
2-Chloro-4-methylaniline
3-Chloro-4-aminotoluene
4-Methyl-2-chloroaniline
4-Amino-3-chlorotoluene
1-Amino-2-chloro-4-methylbenzene
(2-Chloro-4-methylphenyl)amine
NSC 60120
Identifiers:
SMILES:
Cc1ccc(N)c(Cl)c1
InChI:
InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
Key Properties
Boiling Point
219 °C @ Press: 732 Torr
CAS Common Chemistry
Melting Point
7 °C
CAS Common Chemistry
Density
1.15 g/cm³
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 |
| 141.60100000000003 g/mol | RDKit | |
| 141.034526936 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.151 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 219 °C @ Press: 732 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC(=CC=C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XGYLSRFSXKAYCR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 7 °C | CAS Common Chemistry |
| Name | 2-Chloro-4-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 | 40.60140000000001 | RDKit |
