(1-bromo-2,2-diphenylethenyl)benzene

• ChemBase ID: 287064
• Molecular Formular: C20H15Br
• Molecular Mass: 335.2371
• Monoisotopic Mass: 334.03571248
• SMILES: Br/C(=C(/c1ccccc1)\c1ccccc1)/c1ccccc1
• Canonical SMILES: Br/C(=C(/c1ccccc1)\c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
• InChIKey: VUQVJIUBUPPCDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-bromo-2,2-diphenylethenyl)benzene; (2-bromo-1,2-diphenylethenyl)benzene
• IUPAC Traditional name: (1-bromo-2,2-diphenylethenyl)benzene; (2-bromo-1,2-diphenylethenyl)benzene
• Synonyms: (2-Bromoethene-1,1,2-triyl)tribenzene; alpha-Bromo-alpha'-phenylstilbene; Triphenylvinyl bromide; Bromotriphenylethylene; 三苯基溴基乙烯

Database IDs

• CAS Number: 1607-57-4
• EC Number: 216-531-8
• MDL Number: MFCD00000135
• Beilstein Number: 2052962
• PubChem SID: 180672595
• PubChem CID: 15354

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0650563
• LogD (pH = 7.4): 6.0650563
• Log P: 6.0650563
• Molar Refractivity: 102.5997 cm^3
• Polarizability: 35.653786 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 112-115°C

Safety Information

• RTECS: KU8850000
• European Hazard Symbols: X
• Risk Statements: 62
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS08
• GHS Hazard statements: H361
• GHS Precautionary statements: P281-P201-P202-P308+P313-P405-P501A

Product Information

• Purity: 95+%; 98+%