3-Bromobiphenyl

• Catalog Number: ACM2113577-1
• Product Name: 3-Bromobiphenyl
• CAS: 2113-57-7
• Category: Bromine Series
• Description: 3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)
• Synonyms: 3-BROMODIPHENYL;3-BROMOBIPHENYL;BROMOBIPHENYL(3-);PBBNO2;1,1'-(biphenyl,3-bromo-;1,1'-biphenyl,3-bromo-(3-bromobiphenyl);3-Bromo-1,1-biphenyl;3-bromo-1'-biphenyl
• IUPAC Name: 1-bromo-3-phenylbenzene
• Molecular Weight: 233.1
• Molecular Formula: C12H9Br
• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)Br
• InChI: InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
• InChI Key: USYQKCQEVBFJRP-UHFFFAOYSA-N
• Boiling Point: 570 to 574 °F at 760 mm Hg (NTP, 1992);300.0 °C
• Melting Point: 300.0 °C
• Flash Point: 110°C
• Density: 1.398 g/ml at 25°C(lit.)
• Solubility: Insoluble (NTP, 1992)
• Complexity: 149
• Covalently-Bonded Unit Count: 1
• EC Number: 218-304-9
• Exact Mass: 231.98876g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 13
• LogP: 4.85 (LogP)
• Monoisotopic Mass: 231.98876g/mol
• NSC Number: 407775
• Rotatable Bond Count: 1
• Safety Description: 37/39-26-36
• Supplemental Hazard Statements: H315-H319
• Symbol: GHS07
• UNII: O7I53K56S8
• XLogP3: 4.6