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Molecule
2,6-Dichloro-N-Phenylbenzenamine
CAS: 15307-93-4 · C12H9Cl2N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15307-93-4
- Molecular Formula
- C12H9Cl2N
- Molecular Mass
- 238.12 g/mol
Identifiers
CAS Registry Number
15307-93-4
SMILES
Clc1cccc(Cl)c1Nc1ccccc1
InChI Key
HDUUZPLYVVQTKN-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
Names and Synonyms
- 2,6-Dichloro-N-Phenylbenzenamine Synonym
- Benzenamine, 2,6-dichloro-N-phenyl- Synonym
- Diphenylamine, 2,6-dichloro- Synonym
- 2,6-Dichloro-N-phenylbenzenamine Synonym
- 2,6-Dichlorodiphenylamine Synonym
- N-(2,6-Dichlorophenyl)aniline Synonym
- N-Phenyl-2,6-dichloroaniline Synonym
- N-(2,6-Dichlorophenyl)-N-phenylamine Synonym
- Decarboxymethyl diclofenac Synonym
- 2,6-Dichloro-N-phenylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.12 g/mol | CAS Common Chemistry |
| 238.11700000000002 g/mol | RDKit | |
| 238.117 g/mol | RDKit | |
| 238.111 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=CC(Cl)=C1NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=HDUUZPLYVVQTKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-50 °C | CAS Common Chemistry |
| Name | 2,6-Dichloro-N-phenylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.737000000000002 | RDKit |
| 4.737 | RDKit | |
| Molar Refractivity | 66.18670000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 237.011204648 g/mol | RDKit |
| Boiling Point | 115 °C @ 0.01 Torr | CAS Common Chemistry |
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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| 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 = 238.12 g/mol. Edit any field — others recompute live.
