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5-Chloro-2-Methylaniline
CAS: 95-79-4 | C7H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-79-4
Molecular Formula:
C7H8ClN
Molecular Weight:
141.601 g/mol
Names and Synonyms:
5-Chloro-2-Methylaniline
Fast Red KB salt
5-Chloro-2-methylphenylamine
NSC 7094
5-Chloro-2-toluidine
4-Chloro-2-aminotoluene
Fast Red KB-T Base
Naphthosol Fast Red KB base
Metrogen Red Former KB soln
Hiltonil Fast Red KB base
Stable Red KB base
Fast Red KB amine
Red KB base
Azoene Fast Red KB base
Acco Fast Red KB base
Fast Red KB salt Supra
Genazo Red KB soln
Fast Red KBS salt
2-Amino-4-chlorotoluene
3-Chloro-6-methylaniline
5-Chloro-2-methylaniline
2-Methyl-5-chloroaniline
5-Chloro-o-toluidine
Spectrolene Red KB
Pharmazoid Red KB
Ansibase Red KB
5-Chloro-2-methylbenzenamine
Fast Red KB Base
o-Toluidine, 5-chloro-
Benzenamine, 5-chloro-2-methyl-
Identifiers:
SMILES:
Cc1ccc(Cl)cc1N
InChI:
InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(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
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5
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1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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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 | 237 °C @ Press: 722 Torr None | Legacy Database |
cas-canonical-smile | ClC1=CC=C(C(N)=C1)C None | Legacy Database |
cas-inchi | InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=WRZOMWDJOLIVQP-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 26 °C None | Legacy Database |
cas-name | 5-Chloro-2-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 | 40.60140000000001 | RDKit |