| Identification | More | [Name]
tert-Butylisocyanate | [CAS]
1609-86-5 | [Synonyms]
2-isocyanato-2-methylpropane
ISOCYANIC ACID TERT-BUTYL ESTER
left-Butyl isocyanate
T-BUTYL ISOCYANATE
TERT-BUTYL ISOCYANATE
1,1-Dimethylethyl isocyanate
1,1-dimethylethylisocyanate
2-isocyanato-2-methyl-propan
butylisocyanate(non-specificname)
t-C4H9NCO
TERT-BUTYL ISOCYANATE, STAB.
Isocyanatobutanegem.DWCP
TERT-BUTYL ISOCYANATE 98%
PROPANE,2-ISOCYANATO-2-METHYL
socyanic acid, tert-butyl ester | [EINECS(EC#)]
216-544-9 | [Molecular Formula]
C5H9NO | [MDL Number]
MFCD00002035 | [Molecular Weight]
99.13 | [MOL File]
1609-86-5.mol |
| Safety Data | Back Directory | [Hazard Codes ]
F,T+,T | [Risk Statements ]
R11:Highly Flammable.
R14:Reacts violently with water.
R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R34:Causes burns.
R37:Irritating to the respiratory system.
R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) .
S30:Never add water to this product .
S7/9:Keep container tightly closed and in a well-ventilated place . | [RIDADR ]
UN 2484 6.1/PG 1
| [WGK Germany ]
3
| [F ]
10-21 | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
I | [HS Code ]
29291090 |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
TERT-BUTYL ISOCYANATE(1609-86-5) 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]. | [Air & Water Reactions]
Highly flammable. May react with water to produce a toxic vapor. Very slowly decomposed by water. | [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. | [Potential Exposure]
tert-Butyl isocyanate is used as a
reagent in organic synthesis; used as intermediates in production of pharmaceuticals and other chemicals | [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. | [First aid]
Move victim to fresh air. Call 911 or emergency
medical service. Give artificial respiration if victim is not
breathing. Do not use mouth-to-mouth method if victim
ingested or inhaled the substance; give artificial respiration
with the aid of a pocket mask equipped with a one-way
valve or other proper respiratory medical device.
Administer oxygen if breathing is difficult. Remove and
isolate contaminated clothing and shoes. In case of contact
with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact,
avoid spreading material on unaffected skin. Keep victim
warm and quiet. Effects of exposure (inhalation, ingestion
or skin contact) to substance may be delayed. Ensure that
medical personnel are aware of the material(s) involved
and take precautions to protect themselves. Medical observation is recommended for 24 to 48 hours after breathing
overexposure, as pulmonary edema may be delayed. As
first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy | [Shipping]
UN2484 tert-Butyl isocyanate, Hazard class: 6.1;
Labels: 6.1—Poison Inhalation Hazard, 3—Flammable
liquid. Inhalation Hazard Zone A. PGI | [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 | [Chemical Properties]
A clear, colorless, flammable liquid. Pungent
odor. | [Chemical Properties]
Clear colorless liquid | [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. | [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. | [Application]
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. | [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.] |
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