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Diphenylmethane
CAS: 101-81-5 | C13H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-81-5
Molecular Formula:
C13H12
Molecular Mass:
168.24 g/mol
Names and Synonyms:
Diphenylmethane
Benzene, 1,1′-methylenebis-
Methane, diphenyl-
1,1′-Methylenebis[benzene]
Benzylbenzene
Diphenylmethane
Ditan
Ditane
Benzene, (phenylmethyl)-
NSC 4708
DPM
1,1-Diphenylmethane
Identifiers:
SMILES:
c1ccc(Cc2ccccc2)cc1
InChI:
InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
Key Properties
Boiling Point
264.5 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
25.9 °C
CAS Common Chemistry
Density
1.01 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 | 168.24 g/mol | CAS Common Chemistry |
| 168.239 g/mol | RDKit | |
| 168.093900384 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.007 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylmethane | CAS Common Chemistry |
| Boiling Point | 264.5 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CZZYITDELCSZES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25.9 °C | CAS Common Chemistry |
| Name | Diphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 3.277400000000002 | RDKit |
| Molar Refractivity | 55.69000000000003 | RDKit |
