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| | tert-Butylisocyanate Basic information |
| | tert-Butylisocyanate Chemical Properties |
| Melting point | 85.5°C | | Boiling point | 85-86 °C(lit.) | | density | 0.868 g/mL at 25 °C(lit.) | | vapor pressure | 79hPa at 20℃ | | refractive index | n20/D 1.386(lit.) | | Fp | 24 °F | | storage temp. | 2-8°C | | solubility | Chloroform (Soluble), DMSO (Slightly) | | form | Liquid | | color | Clear colorless | | Water Solubility | 1000g/L at 25℃ | | Sensitive | Moisture Sensitive | | BRN | 969479 | | Stability: | Hygroscopic, Moisture Sensitive | | LogP | 0.4 | | CAS DataBase Reference | 1609-86-5(CAS DataBase Reference) | | NIST Chemistry Reference | Propane, 2-isocyanato-2-methyl-(1609-86-5) | | EPA Substance Registry System | tert-Butyl isocyanate (1609-86-5) |
| | tert-Butylisocyanate Usage And Synthesis |
| Chemical Properties | A clear, colorless, flammable liquid. Pungent
odor. | | Chemical Properties | Clear colorless liquid | | Uses | t-Butyl Isocyanate is a useful intermediate in synthesizing SCH 503034, a potential drug in the treatment of Hepatitis C virus. The study discusses with data the drug inhibitive selectivity against the viral enzyme NS3 Protease. | | General Description | A clear colorless liquid with a pungent odor. Flash point 68°F. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. | | Air & Water Reactions | Highly flammable. May react with water to produce a toxic vapor. Very slowly decomposed by water. | | Reactivity Profile | tert-Butylisocyanate can react exothermically with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizing agents, hydrides, phenols, and peroxides. May undergo polymerization with acids and bases. May react with water to form tert-butylamine and 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. | | Potential Exposure | tert-Butyl isocyanate is used as a
reagent in organic synthesis; used as intermediates in production of pharmaceuticals and other chemicals | | Shipping | UN2484 tert-Butyl isocyanate, Hazard class: 6.1;
Labels: 6.1—Poison Inhalation Hazard, 3—Flammable
liquid. Inhalation Hazard Zone A. PGI | | Purification Methods | It is LACHRYMATORY and TOXIC, and should have IR with 2251 (CN) cm-1 and no OH bands. The NMR should have one band at 1.37 ppm from TMS. Purify it by fractional distillation under reduced pressure. [Greene & Bergmark J Org Chem 36 3056 1971, Curtius J Prakt Chem 125 152 1930, Beilstein 4 IV 669.] | | Incompatibilities | Highly flammable liquid and vapor;
forms explosive mixture with air. Isocyanates are highly
flammable and reactive with many compounds, even with
themselves. Incompatible with oxidizers (chlorates, nitrates,
peroxides, permanganates, perchlorates, chlorine, bromine,
fluorine, etc.); contact may cause fires or explosions.
Reaction with moist air, water or alcohols may form
amines and insoluble polyureas and react exothermically,
releasing toxic, corrosive or flammable gases, including
carbon dioxide; and, at the same time, may generate a violent release of heat increasing the concentration of fumes in
the air. Incompatible with amines, aldehydes, alkali metals,
ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing
agents such as hydrides, urethanes, ureas. Elevated
temperatures or contact with acids, bases, tertiary amines,
and acyl-chlorides may cause explosive polymerization.
Attacks some plastics, rubber and coatings. Contact with
metals may evolve flammable hydrogen gas. May accumulate static electrical charges, and may cause ignition of its
vapors | | Waste Disposal | Dispose of contents and container to an approved waste disposal plant. Use a licensed
professional waste disposal service to dispose of this material. Caution: this chemical is highly flammable with a very
low flash point (23.5C). Dissolve or mix the material with
a combustible solvent and burn in a chemical incinerator
equipped with an afterburner and scrubber. All federal, state,
and local environmental regulations must be observed. |
| | tert-Butylisocyanate Preparation Products And Raw materials |
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