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Diphenyldichloromethane
CAS: 2051-90-3 | C13H10Cl2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2051-90-3
Molecular Formula:
C13H10Cl2
Molecular Mass:
237.13 g/mol
Names and Synonyms:
Diphenyldichloromethane
Benzene, 1,1′-(dichloromethylene)bis-
Methane, dichlorodiphenyl-
1,1′-(Dichloromethylene)bis[benzene]
Dichlorodiphenylmethane
Diphenyldichloromethane
Benzophenone dichloride
DPM (halocarbon)
DPM
α,α-Dichlorodiphenylmethane
NSC 37425
[Dichloro(phenyl)methyl]benzene
Identifiers:
SMILES:
ClC(Cl)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
193 °C @ Press: 32 Torr
CAS Common Chemistry
Melting Point
190 °C (decomp)
CAS Common Chemistry
Density
1.24 g/cm³
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 | 237.13 g/mol | CAS Common Chemistry |
| 237.12900000000002 g/mol | RDKit | |
| 236.01595568 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.243 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyldichloromethane | CAS Common Chemistry |
| Boiling Point | 193 °C @ Press: 32 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=OPTDDWCXQQYKGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190 °C (decomp) | CAS Common Chemistry |
| Name | Dichlorodiphenylmethane | CAS Common Chemistry |
| Diphenyldichloromethane | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.365300000000002 | RDKit |
| Molar Refractivity | 65.37000000000003 | RDKit |
