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  • 3-Bromobiphenyl

    • 3-Bromobiphenyl

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    Catalog Number
    ACM2113577-1
    Product Name
    3-Bromobiphenyl
    Structure
    CAS
    2113-57-7
    Category
    Organic Light-Emitting Diode (OLED) Materials
    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
    Description
    3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)
    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
    Purity
    95%+
    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
    Heavy Atom Count
    13
    Log P
    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
    UNII
    O7I53K56S8
    XLogP3
    4.6
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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