Back to Search
4-Ethenyl-1,1′-Biphenyl
CAS: 2350-89-2 | C14H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2350-89-2
Molecular Formula:
C14H12
Molecular Mass:
180.25 g/mol
Names and Synonyms:
4-Ethenyl-1,1′-Biphenyl
1,1′-Biphenyl, 4-ethenyl-
Biphenyl, 4-vinyl-
4-Ethenyl-1,1′-biphenyl
4-Vinylbiphenyl
4-Phenylstyrene
4-Vinyldiphenyl
p-Phenylstyrene
p-Vinylbiphenyl
4-Ethenylbiphenyl
NSC 58060
4-Vinyl-1,1′-biphenyl
(Biphenyl-4-yl)ethene
1-Ethenyl-4-phenylbenzene
Identifiers:
SMILES:
C=Cc1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2
Key Properties
Boiling Point
136-138 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
119 °C
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 | 180.25 g/mol | CAS Common Chemistry |
| 180.093900384 g/mol | RDKit | |
| Boiling Point | 136-138 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CC=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HDBWAWNLGGMZRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | 4-Ethenyl-1,1′-biphenyl | 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 | 3.9966000000000026 | RDKit |
| Molar Refractivity | 61.96900000000004 | RDKit |
