Isobutyl isocyanate

Isobutyl isocyanate Basic information
Product Name:Isobutyl isocyanate
Synonyms:Propane, 1-isocyanato-2-methyl-;Isobutyl isocyanate;2-methylpropyl isocyanate;isocyanic acid isobutyl ester;Isobutyl isocyanate USP/EP/BP
CAS:1873-29-6
MF:C5H9NO
MW:99.13
EINECS:217-495-6
Product Categories:
Mol File:1873-29-6.mol
Isobutyl isocyanate Structure
Isobutyl isocyanate Chemical Properties
Melting point 85.5°C (estimate)
Boiling point 125.62°C (estimate)
density 0.9570 (estimate)
refractive index 1.4061 (estimate)
CAS DataBase Reference1873-29-6
EPA Substance Registry SystemPropane, 1-isocyanato-2-methyl- (1873-29-6)
Safety Information
RIDADR 2486
HazardClass 3.1
PackingGroup II
MSDS Information
Isobutyl isocyanate Usage And Synthesis
UsesIsobutyl Isocyanate, is an building block that cna be used for the synthesis of Boceprevir (B674500), a novel, potent, selective, orally bioavailable NS3 protease inhibitor used for the treatment of Hepatitis C virus (HCV) infection.
General DescriptionA colorless liquid. Flash point near 40°F. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals.
Air & Water ReactionsHighly flammable. Soluble in water.
Reactivity ProfileIsocyanates and thioisocyanates, such as Isobutyl isocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Health HazardTOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
Isobutyl isocyanate Preparation Products And Raw materials
4-BROMO-2-FLUOROPHENYL ISOCYANATE 4-BROMO-2-CHLOROPHENYL ISOCYANATE 2-PHENOXYPHENYL ISOCYANATE 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE TRIMETHYL-1,6-HEXAMETHYLENE DIISOCYANATE (2S,3S)-2-ISOCYANATO-3-METHYLVALERIC ACID METHYL ESTER 1,5-DIISOCYANATO-2-METHYLPENTANE Isobutyl isocyanate (R)-1-CYCLOHEXYLETHYL ISOCYANATE CYCLOHEXANEMETHYL ISOCYANATE 97 TRIMETHYL-1 6-DIISOCYANATOHEXANE 99 2-ISOCYANATO-3-METHYL-BUTYRIC ACID METHYL ESTER (S)-(-)-2-ISOCYANATO-3-METHYLBUTYRIC ACID METHYL ESTER 3-ISOCYANATOMETHYL-TETRAHYDRO-THIOPHENE 1,1-DIOXIDE 1,4-bis(isocyanatomethyl)cyclohexane 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE 2-ISOCYANATO-3-METHYL-PENTANOIC ACID METHYL ESTER

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