Back to Search
Benzenamine, 5-Chloro-2-Methyl-, Hydrochloride (1:1)
CAS: 6259-42-3 | C7H9Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6259-42-3
Molecular Formula:
C7H9Cl2N
Molecular Mass:
178.06 g/mol
Names and Synonyms:
Benzenamine, 5-Chloro-2-Methyl-, Hydrochloride (1:1)
Benzenamine, 5-chloro-2-methyl-, hydrochloride (1:1)
o-Toluidine, 5-chloro-, hydrochloride
Benzenamine, 5-chloro-2-methyl-, hydrochloride
Amarthol Fast Red KB Base
Amarthol Fast Red KB Salt
Azanil Red Salt KB
Azobase CAT
Azoene Fast Red KB Salt
Daito Red Base KB
Fast Red 4CT
Fast Red Base D
Fast Red Base KB
Fast Red DA Salt
Fast Red KB
Fast Red 4CT Salt
Fast Red Salt KB
Fast Red Salt KBA
Mitsui Red KB Base
Naphthanil Red KB Base
Naphthanil Red KBH
Naphthanil Red KBO Base
Naphtoelan Fast Red KB Base
Naphtoelan Fast Red KB Salt
Neutrosel Red DVA
Red Base NKB
Red KB Salt
Sanyo Fast Red KB Base
Scarlet Base Irga VI
Scarlet Salt Irga VI
Stabamine Red KB
5-Chloro-o-toluidine hydrochloride
5-Chloro-2-methylaniline hydrochloride
2-Amino-4-chlorotoluene hydrochloride
Identifiers:
SMILES:
Cc1ccc(Cl)cc1N.Cl
InChI:
InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H
Key Properties
Melting Point
265-267 °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 | 178.06 g/mol | CAS Common Chemistry |
| 178.062 g/mol | RDKit | |
| 177.011204648 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC1=CC=C(C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=BMZGSMUCRXYUGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 265-267 °C | CAS Common Chemistry |
| Name | Benzenamine, 5-chloro-2-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.6524200000000007 | RDKit |
| Molar Refractivity | 47.84940000000002 | RDKit |
