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Chlorodiphenylmethane
CAS: 90-99-3 | C13H11Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-99-3
Molecular Formula:
C13H11Cl
Molecular Mass:
202.68 g/mol
Names and Synonyms:
Chlorodiphenylmethane
Benzene, 1,1′-(chloromethylene)bis-
Methane, chlorodiphenyl-
1,1′-(Chloromethylene)bis[benzene]
Chlorodiphenylmethane
Benzhydryl chloride
Diphenylchloromethane
Diphenylmethyl chloride
α-Chlorodiphenylmethane
NSC 76584
[Chloro(phenyl)methyl]benzene
Identifiers:
SMILES:
ClC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
Key Properties
Boiling Point
173 °C @ Press: 19 Torr
CAS Common Chemistry
Melting Point
20.5 °C
CAS Common Chemistry
Density
1.14 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 | 202.68 g/mol | CAS Common Chemistry |
| 202.684 g/mol | RDKit | |
| 202.054928032 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.1398 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 173 °C @ Press: 19 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H | CAS Common Chemistry |
| InChI Key | InChIKey=ZDVDCDLBOLSVGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20.5 °C | CAS Common Chemistry |
| Name | Chlorodiphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 4.014800000000003 | RDKit |
| Molar Refractivity | 60.580000000000034 | RDKit |
