Back to Search
4-Chloro-O-Toluidine
CAS: 95-69-2 | C7H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-69-2
Molecular Formula:
C7H8ClN
Molecular Mass:
141.60 g/mol
Names and Synonyms:
4-Chloro-O-Toluidine
Benzenamine, 4-chloro-2-methyl-
o-Toluidine, 4-chloro-
4-Chloro-2-methylbenzenamine
Daito Red Base TR
Fast Red Base TR
Fast Red 5CT Base
Fast Red TR Base
Fast Red TRO Base
Kako Red TR Base
Mitsui Red TR Base
Red Base NTR
Red TR Base
Sanyo Fast Red TR Base
4-Chloro-o-toluidine
2-Methyl-4-chloroaniline
2-Amino-5-chlorotoluene
4-Chloro-2-toluidine
4-Chloro-2-methylaniline
p-Chloro-o-toluidine
4-Chloro-6-methylaniline
3-Chloro-6-aminotoluene
Fast Red TR-T Base
5-Chloro-2-aminotoluene
2-Methyl-4-chlorobenzenamine
NSC 4979
(4-Chloro-2-methylphenyl)amine
Identifiers:
SMILES:
Cc1cc(Cl)ccc1N
InChI:
InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
Key Properties
Boiling Point
241 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
30 °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 |
| 141.60099999999997 g/mol | RDKit | |
| 141.034526936 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Chloro-o-toluidine | CAS Common Chemistry |
| Boiling Point | 241 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(N)C(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CXNVOWPRHWWCQR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30 °C | CAS Common Chemistry |
| Name | 4-Chloro-2-methylaniline | CAS Common Chemistry |
| 4-Chloro-o-toluidine | 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 |
