1-ethenyl-4-phenylbenzene

• ChemBase ID: 150554
• Molecular Formular: C14H12
• Molecular Mass: 180.24508
• Monoisotopic Mass: 180.09390038
• SMILES: C=Cc1ccc(cc1)c1ccccc1
• Canonical SMILES: C=Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2
• InChIKey: HDBWAWNLGGMZRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-phenylbenzene
• IUPAC Traditional name: 1-ethenyl-4-phenylbenzene
• Synonyms: 4-Phenylstyrene; 4-Vinylbiphenyl; 4-苯基苯乙烯; 4-乙烯基联苯

Database IDs

• CAS Number: 2350-89-2
• EC Number: 219-082-6
• MDL Number: MFCD00008620
• Beilstein Number: 2039221
• PubChem SID: 24900720; 162244715
• PubChem CID: 16883

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3571734
• LogD (pH = 7.4): 4.3571734
• Log P: 4.3571734
• Molar Refractivity: 60.8805 cm^3
• Polarizability: 25.087067 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-116°C; 119-121 °C(lit.)

Safety Information

• German water hazard class: 3
• Risk Statements: 53
• TSCA Listed: 否
• GHS Hazard statements: H413
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: C6H5C6H4CH=CH2

DETAILS

Sigma Aldrich - V1805

Packaging
1, 10 g in glass bottle