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Molecule
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
Identifiers
CAS Registry Number
137-04-2
SMILES
Cl.Nc1ccccc1Cl
InChI Key
DRGIDRZFKRLQTE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H
Names and Synonyms
- Benzenamine, 2-Chloro-, Hydrochloride (1:1) Systematic Name
- Benzenamine, 2-chloro-, hydrochloride (1:1) Synonym
- Aniline, o-chloro-, hydrochloride Synonym
- Benzenamine, 2-chloro-, hydrochloride Synonym
- Amarthol Fast Yellow GC Base Synonym
- Amarthol Fast Yellow GC Salt Synonym
- Ansibases Yellow GC Synonym
- Azoene Fast Yellow GC Base Synonym
- Azoene Fast Yellow GC Salt Synonym
- Daito Yellow Base GC Synonym
- Daito Yellow Salt GC Synonym
- Fast Yellow Base GC Synonym
- Fast Yellow Base JS Synonym
- Fast Yellow MC Synonym
- Fast Yellow OC Base Synonym
- Fast Yellow OC Salt Synonym
- Fast Yellow Salt GC Synonym
- Fast Yellow Salt JS Synonym
- Hiltonil Fast Yellow GC Base Synonym
- Hiltosal Fast Yellow GC Salt Synonym
- Hindasol Yellow GC Salt Synonym
- Kako Yellow GC Base Synonym
- Mitsui Yellow GC Base Synonym
- Naphtoelan Fast Yellow GC Base Synonym
- Naphtoelan Fast Yellow GC Salt Synonym
- Natasol Fast Yellow GC Salt Synonym
- Sanyo Fast Yellow GC Base Synonym
- Sanyo Fast Yellow Salt GC Synonym
- Spectrolene Orange HD Synonym
- Yellow Base NGC Synonym
- Yellow GC Salt Synonym
- o-Chloroaniline hydrochloride Synonym
- 2-Chloroaniline hydrochloride Synonym
- 2-Chloroanilinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.04 g/mol | CAS Common Chemistry |
| 164.03499999999997 g/mol | RDKit | |
| 164.035 g/mol | RDKit | |
| 164.029 g/mol | chempirical lib | |
| 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 |
| 2.344 | RDKit | |
| 2.29 | chempirical lib | |
| Molar Refractivity | 43.112400000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 162.995554584 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 164.04 g/mol; density = 1.510 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7Cl2N.
