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Biphenyl
CAS: 92-52-4 | C12H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-52-4
Molecular Formula:
C12H10
Molecular Weight:
154.21199999999996 g/mol
Names and Synonyms:
Biphenyl
1,1′-Biphenyl
Biphenyl
Diphenyl
Phenylbenzene
Bibenzene
1,1′-Diphenyl
Tetrosin LY
Carolid AL
NSC 14916
Identifiers:
SMILES:
c1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.21 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Biphenyl | Legacy Database | |
| cas-boiling-point | 254-255 °C | Legacy Database | |
| cas-canonical-smile | C=1C=CC(=CC1)C=2C=CC=CC2 | Legacy Database | |
| cas-density | 1.041 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H | Legacy Database | |
| cas-inchi-key | InChIKey=ZUOUZKKEUPVFJK-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 69-71 °C | Legacy Database | |
| cas-name | Biphenyl | Legacy Database | |
| wikipedia-name | Biphenyl | Legacy Database | |
| LogP | 3.353600000000001 | RDKit | |
| Molecular | Molecular Weight | 154.21199999999996 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.07825032 g/mol | RDKit |
| Heavy | Heavy Atom Count | 12 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 51.87800000000003 | RDKit |
