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4-Bromophenylacetonitrile

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Origin: China

Cas No: 16532-79-9

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 100 mt/month

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  • Products Specification
  • Product Description

  • Property

    CAS No.: 16532-79-9 Formula: C8H6BrN Molecular Weight: 196.04400

    Description

    A chemical model used for the study and analysis of human buccal absorption of pharmaceuticals. A fundamental starting material for organic compound synthesis.

    Basic Info

    Chemical Name 4-Bromophenylacetonitrile
    Synonyms

    4-Bromobenzyl Cyanide;
    2-(4-bromophenyl)acetonitrile;
    Benzeneacetonitrile, 4-bromo-;

    CAS No. 16532-79-9
    Molecular Formula C8H6BrN
    Molecular Weight 196.04400
    PSA 23.79000
    LogP 2.51518

    Properties

    Appearance & Physical State clear to yellow crystals
    Density 1.487g/cm3
    Boiling Point 116-118ºC 3mm
    Melting Point 47-49ºC
    Flash Point 152ºC
    Water Solubility slightly soluble
    Stability Stable under normal temperatures and pressures.
    Storage Condition Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

    Safety Info

    RTECS AL8090000
    Hazard Class 6.1
    Safety Statements S26-S36/37/39
    HS Code 2926909090
    Packing Group III
    WGK Germany 3
    RIDADR UN 1694
    Risk Statements R20/21/22; R36/37/38
    Hazard Codes Xn

    Synthesis Route

    (4-methylphenyl)sulfonylformonitrile+p-bromobenzyl allyl sulfone→4-Bromophenylacetonitrile+1-methyl-4-prop-2-enylsulfonylbenzene
    sodium cyanide+4-Bromobenzyl Bromide→4-Bromophenylacetonitrile
    Sodium cyanide+4-Bromobenzyl Bromide→4-Bromophenylacetonitrile

    Toxicity

    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Intravenous LD50 - Lethal dose, 50 percent kill Rodent - mouse 56 mg/kg 1.Details of toxic effects not reported other than lethal dose value

    Precursor

    (4-methylphenyl)sulfonylformonitrile
    p-bromobenzyl allyl sulfone
    sodium cyanide
    4-Bromobenzyl Bromide

    Downstream Product

    Methyl 4-(2-methoxy-2-oxoethyl)benzoate
    Methyl 4-(cyanomethyl)benzoate
    Methyl 2-(4-bromophenyl)acetate
    tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamate

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