2-bromo-1-fluoro-4-phenylbenzene

• ChemBase ID: 99180
• Molecular Formular: C12H8BrF
• Molecular Mass: 251.0943232
• Monoisotopic Mass: 249.97934048
• SMILES: Fc1ccc(cc1Br)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1Br)c1ccccc1
• InChI: InChI=1S/C12H8BrF/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8H
• InChIKey: COWXPZSVUXHAFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-fluoro-4-phenylbenzene
• IUPAC Traditional name: 2-bromo-1-fluoro-4-phenylbenzene
• Synonyms: 3-Bromo-4-fluorobiphenyl 97%; 3-Bromo-4-fluorobiphenyl; 3-bromo-4-fluoro-1,1'-biphenyl; 3-溴-4-氟联苯

Database IDs

• CAS Number: 306935-88-6
• MDL Number: MFCD01571091
• PubChem SID: 162085471
• PubChem CID: 2773367

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5319257
• LogD (pH = 7.4): 4.5319257
• Log P: 4.5319257
• Molar Refractivity: 59.0334 cm^3
• Polarizability: 23.60988 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• UN Number: UN3151
• Hazard Class: 9
• Packing Group: II
• Risk Statements: 52/53
• Safety Statements: 61
• TSCA Listed: 否
• GHS Hazard statements: H402-H412
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: 97%; 98%