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Molecule
Diphenyldichloromethane
CAS: 2051-90-3 · C13H10Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2051-90-3
- Molecular Formula
- C13H10Cl2
- Molecular Mass
- 237.13 g/mol
Identifiers
CAS Registry Number
2051-90-3
SMILES
ClC(Cl)(c1ccccc1)c1ccccc1
InChI Key
OPTDDWCXQQYKGU-UHFFFAOYSA-N
InChI
InChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Diphenyldichloromethane Synonym
- Benzene, 1,1′-(dichloromethylene)bis- Synonym
- Methane, dichlorodiphenyl- Synonym
- 1,1′-(Dichloromethylene)bis[benzene] Synonym
- Dichlorodiphenylmethane Synonym
- Diphenyldichloromethane Synonym
- Benzophenone dichloride Synonym
- DPM (halocarbon) Synonym
- DPM Synonym
- α,α-Dichlorodiphenylmethane Synonym
- NSC 37425 Synonym
- [Dichloro(phenyl)methyl]benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.13 g/mol | CAS Common Chemistry |
| 237.12900000000002 g/mol | RDKit | |
| 237.129 g/mol | RDKit | |
| 237.123 g/mol | chempirical lib | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.243 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyldichloromethane | 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 |
| 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 |
| 4.3653 | RDKit | |
| Molar Refractivity | 65.37000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 236.01595568 g/mol | RDKit |
| Boiling Point | 193 °C @ 32 Torr | CAS Common Chemistry |
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
160
140
120
100
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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.
External Resources
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MW = 237.13 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10Cl2.
