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Isobutyl Isothiocyanate

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Origin: China

Cas No: 591-82-2

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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  • Products Specification
  • Product Description

  • Property

    CAS No.: 591-82-2 Formula: C5H9NS Molecular Weight: 115.19700

    Basic Info

    Chemical Name Isobutyl Isothiocyanate
    Synonyms

    Propane, 1-isothiocyanato-2-methyl-;
    1-isothiocyanato-2-methylpropane;

    CAS No. 591-82-2
    Molecular Formula C5H9NS
    Molecular Weight 115.19700
    PSA 44.45000
    LogP 1.74520

    Properties

    Density 0.94
    Boiling Point 160-162ºC
    Flash Point 24ºC
    Refractive Index 1.498

    Safety Info

    RTECS NX8780100
    Hazard Class 3
    Safety Statements S16-S26-S36/37/39
    HS Code 2930909090
    Packing Group III
    RIDADR UN 1992
    Risk Statements R10; R20/21/22; R36/37/38
    Hazard Codes C

    Synthesis Route

    isobutyl-dithiocarbamic acid ethyl ester→Isobutyl Isothiocyanate+Ethanethiol
    thiophosgene+2-methylpropanamine→Isobutyl Isothiocyanate
    carbon disulfide+2,2,2-trifluoro-N-(2-methylpropyl)acetamide→Isobutyl Isothiocyanate

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Capillary HP-1 - 921. temperature ramp
    Capillary HP-1 - 926. temperature ramp
    Capillary CP Sil 5 CB - 931. temperature ramp
    Capillary HP-1 - 919. temperature ramp

    Toxicity

    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    - Mutation in microorganisms - 100 ug/plate -

    Precursor

    2,2,2-trifluoro-N-(2-methylpropyl)acetamide
    thiophosgene
    2-methylpropanamine
    isobutyl-dithiocarbamic acid ethyl ester

    Downstream Product

    1-methyl-3-(2-methylpropyl)thiourea
    2-methylpropylthiourea
    1-(2-methylpropyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]thiourea
    1-[(E)-benzylideneamino]-3-(2-methylpropyl)thiourea

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