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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 Weight:
141.60099999999997 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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.60099999999997 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.23062 | RDKit |
| molecular_mass | 141.60 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/4-Chloro-o-toluidine None | Legacy Database |
| cas-boiling-point | 241 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(N)C(=C1)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CXNVOWPRHWWCQR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 30 °C None | Legacy Database |
| cas-name | 4-Chloro-2-methylaniline None | Legacy Database |
| wikipedia-name | 4-Chloro-o-toluidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.60140000000001 | RDKit |
