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Benzenamine, 2-Chloro-, Hydrochloride (1:1)
CAS: 137-04-2 | C6H7Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137-04-2
Molecular Formula:
C6H7Cl2N
Molecular Mass:
164.04 g/mol
Names and Synonyms:
Benzenamine, 2-Chloro-, Hydrochloride (1:1)
Benzenamine, 2-chloro-, hydrochloride (1:1)
Aniline, o-chloro-, hydrochloride
Benzenamine, 2-chloro-, hydrochloride
Amarthol Fast Yellow GC Base
Amarthol Fast Yellow GC Salt
Ansibases Yellow GC
Azoene Fast Yellow GC Base
Azoene Fast Yellow GC Salt
Daito Yellow Base GC
Daito Yellow Salt GC
Fast Yellow Base GC
Fast Yellow Base JS
Fast Yellow MC
Fast Yellow OC Base
Fast Yellow OC Salt
Fast Yellow Salt GC
Fast Yellow Salt JS
Hiltonil Fast Yellow GC Base
Hiltosal Fast Yellow GC Salt
Hindasol Yellow GC Salt
Kako Yellow GC Base
Mitsui Yellow GC Base
Naphtoelan Fast Yellow GC Base
Naphtoelan Fast Yellow GC Salt
Natasol Fast Yellow GC Salt
Sanyo Fast Yellow GC Base
Sanyo Fast Yellow Salt GC
Spectrolene Orange HD
Yellow Base NGC
Yellow GC Salt
o-Chloroaniline hydrochloride
2-Chloroaniline hydrochloride
2-Chloroanilinium chloride
Identifiers:
SMILES:
Cl.Nc1ccccc1Cl
InChI:
InChI=1S/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H
Key Properties
Melting Point
235 °C
CAS Common Chemistry
Density
1.51 g/cm³
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 | 164.04 g/mol | CAS Common Chemistry |
| 164.03499999999997 g/mol | RDKit | |
| 162.995554584 g/mol | RDKit | |
| Density | 1.51 g/cm³ | CAS Common Chemistry |
| 1.505 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.ClC=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DRGIDRZFKRLQTE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235 °C | CAS Common Chemistry |
| Name | Benzenamine, 2-chloro-, hydrochloride (1:1) | 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 | 2.3440000000000003 | RDKit |
| Molar Refractivity | 43.112400000000015 | RDKit |
