1-bromo-4-[(E)-2-phenylethenyl]benzene

• ChemBase ID: 296602
• Molecular Formular: C14H11Br
• Molecular Mass: 259.14114
• Monoisotopic Mass: 258.00441235
• SMILES: Brc1ccc(cc1)/C=C/c1ccccc1
• Canonical SMILES: Brc1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
• InChIKey: ZZMMKLVIBZWGPK-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-[(E)-2-phenylethenyl]benzene
• IUPAC Traditional name: 1-bromo-4-[(E)-2-phenylethenyl]benzene
• Synonyms: (E)-1-Bromo-4-(2-phenylethenyl)benzene; 4-Bromo-trans-stilbene; 4-溴-反-二苯乙烯

Database IDs

• CAS Number: 13041-70-8
• MDL Number: MFCD00155020
• PubChem SID: 180682133
• PubChem CID: 5374623

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0818396
• LogD (pH = 7.4): 5.0818396
• Log P: 5.0818396
• Molar Refractivity: 69.1356 cm^3
• Polarizability: 26.156887 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 138-140°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%