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2,6-Dichloro-N-Phenylbenzenamine
CAS: 15307-93-4 | C12H9Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15307-93-4
Molecular Formula:
C12H9Cl2N
Molecular Mass:
238.12 g/mol
Names and Synonyms:
2,6-Dichloro-N-Phenylbenzenamine
Benzenamine, 2,6-dichloro-N-phenyl-
Diphenylamine, 2,6-dichloro-
2,6-Dichloro-N-phenylbenzenamine
2,6-Dichlorodiphenylamine
N-(2,6-Dichlorophenyl)aniline
N-Phenyl-2,6-dichloroaniline
N-(2,6-Dichlorophenyl)-N-phenylamine
Decarboxymethyl diclofenac
2,6-Dichloro-N-phenylaniline
Identifiers:
SMILES:
Clc1cccc(Cl)c1Nc1ccccc1
InChI:
InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
Key Properties
Boiling Point
115 °C @ Press: 0.01 Torr
CAS Common Chemistry
Melting Point
48-50 °C
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 | 238.12 g/mol | CAS Common Chemistry |
| 238.11700000000002 g/mol | RDKit | |
| 237.011204648 g/mol | RDKit | |
| Boiling Point | 115 °C @ Press: 0.01 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 66.18670000000002 | RDKit |
