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  • 2,2'-Thiobis(4,6-dichlorophenol)

  • 2,2'-Thiobis(4,6-dichlorophenol)

    Catalog Number
    ACM97187
    CAS Number
    97-18-7
    Product Name
    2,2'-Thiobis(4,6-dichlorophenol)
    Structure
    Category
    Monomers; Polymers
    Description
    2,2'-thiobis(4,6-dichlorophenol) appears as white or grayish white crystalline powder with a very faint aromatic or phenolic odor. (NTP, 1992)
    IUPAC Name
    2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
    Molecular Weight
    356g/mol
    Molecular Formula
    C12H6Cl4O2S
    Canonical SMILES
    C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
    InChI
    InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
    InChI Key
    JFIOVJDNOJYLKP-UHFFFAOYSA-N
    Melting Point
    365.9 to 367.7 °F (NTP, 1992);188.0 °C;188 °C
    Density
    1.73 (NTP, 1992);1.73 at 25 °C/4 °C
    Solubility
    less than 1 mg/mL at 73° F (NTP, 1992);1.12e-05 M;Sol in dil caustic soln. A 4% sodium hydroxide soln will dissolve 16.2% bithionol. 15.0 g/100 ml acetone; 19.0 g/100 ml polysorbate 80; 72.5 g/100 ml dimethylacetamide; 5.0 g/100 ml lanolin at 42 °C; 4.0 g/100 ml pine oil; 1.0 g/100 ml corn oil; 0.5 g/100 ml propylene glycol; 0.3 g/100 ml 70% ethanol;Freely sol in ether; sol in chloroform and dilute soln of fixed alkali hydroxides;In water, 4 mg/L at 25 °C
    Color/Form
    White or grayish-white, crystalline powder
    Complexity
    282
    Covalently-Bonded Unit Count
    1
    EC Number
    202-565-0
    Exact Mass
    355.881311g/mol
    Formal Charge
    0
    Heavy Atom Count
    19
    Log P
    log Kow = 5.91 (est)
    MeSH Entry Terms
    Bithionol;Bitin
    Monoisotopic Mass
    353.884261g/mol
    NSC Number
    47129;9872
    Odor
    Odorless or with slight aromatic or phenolic odor
    Other Experimental
    Henry's Law constant = 1.0X10-13 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.8X10-12 cu cm/molec-sec at 25 °C (est);log Kow= 4.13 /Bithionol sulfoxide/
    Rotatable Bond Count
    2
    UNII
    AMT77LS62O
    UN Number
    2811
    Vapor Pressure
    1.1e-09 mm Hg at 99 °F (NTP, 1992);1.1X10-9 mm Hg at 37 °C
    XLogP3
    5.8
    If you have any other questions or need other size, please get a quote.
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