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 Reference

1873-29-6

EPA Substance Registry System

Propane, 1-isocyanato-2-methyl- (1873-29-6)

Safety Information

RIDADR 

2486

HazardClass 

3.1

PackingGroup 

II

Isobutyl isocyanate Usage And Synthesis

Uses

Isobutyl 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 Description

A 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 Reactions

Highly flammable. Soluble in water.

Reactivity Profile

Isocyanates 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 Hazard

TOXIC; 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 Hazard

HIGHLY 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(1873-29-6)Related Product Information

• 3-CHLORO-4-FLUOROPHENYL ISOCYANATE
• 4-BROMO-2-FLUOROPHENYL ISOCYANATE
• 3,4-DICHLOROBENZYL ISOCYANATE
• 4-BROMO-2-CHLOROPHENYL ISOCYANATE
• 2-PHENOXYPHENYL ISOCYANATE
• 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
• 2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
• 2-IODOPHENYL ISOCYANATE
• 3-Cyanophenyl isocyanate
• 2-FLUORO-5-METHYLPHENYL ISOCYANATE
• 2-ETHYLHEXYL ISOCYANATE 98
• 2,3-DIMETHYLPHENYL ISOCYANATE
• 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97
• 4-(METHYLTHIO)PHENYL ISOCYANATE
• 2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL
• 2-ETHOXYPHENYL ISOCYANATE
• TRIMETHYLSILYL ISOTHIOCYANATE
• Isopropyl isothiocyanate