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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 Mass:
141.60 g/mol
Names and Synonyms:
5-Chloro-2-Methylaniline
Benzenamine, 5-chloro-2-methyl-
o-Toluidine, 5-chloro-
Fast Red KB Base
5-Chloro-2-methylbenzenamine
Ansibase Red KB
Pharmazoid Red KB
Spectrolene Red KB
5-Chloro-o-toluidine
2-Methyl-5-chloroaniline
5-Chloro-2-methylaniline
3-Chloro-6-methylaniline
2-Amino-4-chlorotoluene
Fast Red KBS salt
Genazo Red KB soln
Fast Red KB salt Supra
Fast Red KB salt
Acco Fast Red KB base
Azoene Fast Red KB base
Red KB base
Fast Red KB amine
Stable Red KB base
Hiltonil Fast Red KB base
Metrogen Red Former KB soln
Naphthosol Fast Red KB base
Fast Red KB-T Base
4-Chloro-2-aminotoluene
5-Chloro-2-toluidine
NSC 7094
5-Chloro-2-methylphenylamine
Identifiers:
SMILES:
Cc1ccc(Cl)cc1N
InChI:
InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
Key Properties
Boiling Point
237 °C @ Press: 722 Torr
CAS Common Chemistry
Melting Point
26 °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 | 237 °C @ Press: 722 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WRZOMWDJOLIVQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 26 °C | CAS Common Chemistry |
| Name | 5-Chloro-2-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 |
