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Molecule
Biphenyl
CAS: 92-52-4 · C12H10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-52-4
- Molecular Formula
- C12H10
- Molecular Mass
- 154.21 g/mol
Identifiers
CAS Registry Number
92-52-4
SMILES
c1ccc(-c2ccccc2)cc1
InChI Key
ZUOUZKKEUPVFJK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Biphenyl Synonym
- 1,1′-Biphenyl Synonym
- Biphenyl Synonym
- Diphenyl Synonym
- Phenylbenzene Synonym
- Bibenzene Synonym
- 1,1′-Diphenyl Synonym
- Tetrosin LY Synonym
- Carolid AL Synonym
- NSC 14916 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.21 g/mol | CAS Common Chemistry |
| 154.21199999999996 g/mol | RDKit | |
| 154.212 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.041 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Biphenyl | CAS Common Chemistry |
| Boiling Point | 254-255 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=ZUOUZKKEUPVFJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69-71 °C | CAS Common Chemistry |
| Name | Biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.353600000000001 | RDKit |
| 3.3536 | RDKit | |
| Molar Refractivity | 51.87800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 154.07825032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 154.21 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10.
