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Molecule
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
Identifiers
CAS Registry Number
141-85-5
SMILES
Cl.Nc1cccc(Cl)c1
InChI Key
NMGHWHCTRGZZOP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H
Names and Synonyms
- Benzenamine, 3-Chloro-, Hydrochloride (1:1) Synonym
- Brentamine Fast Orange GC Base Synonym
- Daito Orange Base GC Synonym
- Devol Orange C Synonym
- Devol Orange GC Synonym
- Diabase Orange GC Base Synonym
- Benzenamine, 3-chloro-, hydrochloride (1:1) Synonym
- Aniline, m-chloro-, hydrochloride Synonym
- Benzenamine, 3-chloro-, hydrochloride Synonym
- Amarthol Fast Orange GC Base Synonym
- Ansibase Orange GC Synonym
- Azogene Fast Orange GC Base Synonym
- Azogene Fast Orange GCN Base Synonym
- Fast Orange G Base Synonym
- Fast Orange Base GC Synonym
- Fast Orange Base JS Synonym
- Fast Orange MC Base Synonym
- Hiltonil Fast Orange GC Base Synonym
- Naphtoelan Fast Orange GC Base Synonym
- Orange Base Ciba IV Synonym
- Orange Base Irga IV Synonym
- Orange Base NGC Synonym
- Sanyo Fast Orange GC Base Synonym
- Symulon Orange GC Base Synonym
- 3-Chloroaniline hydrochloride Synonym
- m-Chloroaniline hydrochloride Synonym
- 3-Chlorobenzenamine hydrochloride Synonym
- 3-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 | |
| 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 |
| 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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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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| 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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7Cl2N.
