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Benzenamine, 3-Chloro-, Hydrochloride (1:1)
CAS: 141-85-5 | C6H7Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-85-5
Molecular Formula:
C6H7Cl2N
Molecular Mass:
164.04 g/mol
Names and Synonyms:
Benzenamine, 3-Chloro-, Hydrochloride (1:1)
Brentamine Fast Orange GC Base
Daito Orange Base GC
Devol Orange C
Devol Orange GC
Diabase Orange GC Base
Benzenamine, 3-chloro-, hydrochloride (1:1)
Aniline, m-chloro-, hydrochloride
Benzenamine, 3-chloro-, hydrochloride
Amarthol Fast Orange GC Base
Ansibase Orange GC
Azogene Fast Orange GC Base
Azogene Fast Orange GCN Base
Fast Orange G Base
Fast Orange Base GC
Fast Orange Base JS
Fast Orange MC Base
Hiltonil Fast Orange GC Base
Naphtoelan Fast Orange GC Base
Orange Base Ciba IV
Orange Base Irga IV
Orange Base NGC
Sanyo Fast Orange GC Base
Symulon Orange GC Base
3-Chloroaniline hydrochloride
m-Chloroaniline hydrochloride
3-Chlorobenzenamine hydrochloride
3-Chloroanilinium chloride
Identifiers:
SMILES:
Cl.Nc1cccc(Cl)c1
InChI:
InChI=1S/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H
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 | |
| Canonical SMILES | Cl.ClC1=CC=CC(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NMGHWHCTRGZZOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzenamine, 3-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 |
