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    • 4-Bromophenol

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    Catalog Number
    ACM106412
    CAS Number
    106-41-2
    Product Name
    4-Bromophenol
    Structure
    Category
    Liquid Crystal (LC) Building Blocks
    Synonyms
    p-Bromophenol
    IUPAC Name
    4-bromophenol
    Molecular Weight
    173.01
    Molecular Formula
    C6H5BrO
    Canonical SMILES
    C1=CC(=CC=C1O)Br
    InChI
    InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
    InChI Key
    GZFGOTFRPZRKDS-UHFFFAOYSA-N
    Boiling Point
    238.0 °C;238 °C
    Melting Point
    66.4 °C;66.4 °C
    Density
    1.840 g/cu cm at 15 °C
    Solubility
    0.08 M;Freely soluble in alcohol, chloroform, ether, glacial acetic acid;In water, 1.4X10+4 mg/L at 25 °C
    Color/Form
    Tetragonal bipyramidal crystals from chloroform or ether
    Complexity
    67
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    EC Number
    203-394-4
    Exact Mass
    171.9523
    Formal Charge
    0
    Heavy Atom Count
    8
    Hydrogen Bond Acceptor Count
    1
    Hydrogen Bond Donor Count
    1
    Isotope Atom Count
    0
    Log P
    2.59 (LogP);log Kow = 2.59
    MeSH Entry Terms
    4-bromophenol;p-bromophenol;para-bromophenol
    Monoisotopic Mass
    171.9523
    NSC Number
    4970
    Other Experimental
    Density: 1.5875 at 80 °C;Small amounts of water depress the MP considerably and may prevent crystallization;Henry's Law constant = 1.51X10-7 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 9.69X10-12 cu cm/molec-sec at 25 °C (est)
    Rotatable Bond Count
    0
    Topological Polar Surface Area
    20.2 Ų
    UNII
    LAO4J0183I
    Vapor Pressure
    0.01 mmHg;1.17X10-2 mm Hg at 25 °C
    XLogP3
    2.6
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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