tert-Butylisocyanat

Bezeichnung:tert-Butylisocyanat

CAS-Nr1609-86-5

Englisch Name:tert-Butylisocyanate

CBNumberCB7729470

SummenformelC5H9NO

Molgewicht99.13

MOL-Datei1609-86-5.mol

Synonyma

tert-Butylisocyanat

tert-Butylisocyanat physikalisch-chemischer Eigenschaften

Schmelzpunkt	85.5°C
Siedepunkt	85-86 °C(lit.)
Dichte	0.868 g/mL at 25 °C(lit.)
Dampfdruck	79hPa at 20℃
Brechungsindex	n20/D 1.386(lit.)
Flammpunkt	24 °F
storage temp.	2-8°C
Löslichkeit	Chloroform (Soluble), DMSO (Slightly)
Aggregatzustand	Liquid
Farbe	Clear colorless
Wasserlöslichkeit	1000g/L at 25℃
Sensitive	Moisture Sensitive
BRN	969479
Stabilität	Hygroscopic, Moisture Sensitive
LogP	0.4
CAS Datenbank	1609-86-5(CAS DataBase Reference)
NIST chemische Informationen	Propane, 2-isocyanato-2-methyl-(1609-86-5)
EPA chemische Informationen	tert-Butyl isocyanate (1609-86-5)

Sicherheit

Kennzeichnung gefährlicher	F,T+,T
R-Sätze:	11-14-22-26-34-37-42-36/37/38-23/24/25-10
S-Sätze:	16-26-36/37/39-45-43-30-7/9
RIDADR	UN 2484 6.1/PG 1
WGK Germany	3
F	10-21
TSCA	Yes
HazardClass	6.1
PackingGroup	I
HS Code	29291090

Gefahreninformationscode (GHS)

tert-Butylisocyanate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R11:Leichtentzündlich.
R14:Reagiert heftig mit Wasser.
R22:Gesundheitsschädlich beim Verschlucken.
R26:Sehr giftig beim Einatmen.
R34:Verursacht Verätzungen.
R37:Reizt die Atmungsorgane.
R42:Sensibilisierung durch Einatmen möglich.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R23/24/25:Giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R10:Entzündlich.
S-Sätze Betriebsanweisung:
S16:Von Zündquellen fernhalten - Nicht rauchen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S43:Zum Löschen . . . (vom Hersteller anzugeben) verwenden (wenn Wasser die Gefahr erhöht, anfügen: "Kein Wasser verwenden").
S30:Niemals Wasser hinzugießen.
S7/9:Behälter dicht geschlossen an einem gut gelüfteten Ort aufbewahren.
Chemische Eigenschaften
Clear colorless liquid
Chemische Eigenschaften
A clear, colorless, flammable liquid. Pungent odor.
Verwenden
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.
Allgemeine Beschreibung
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 Reaktionen
Highly flammable. May react with water to produce a toxic vapor. Very slowly decomposed by water.
Reaktivität anzeigen
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.
Brandgefahr
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.
mögliche Exposition
tert-Butyl isocyanate is used as a reagent in organic synthesis; used as intermediates in production of pharmaceuticals and other chemicals
Versand/Shipping
UN2484 tert-Butyl isocyanate, Hazard class: 6.1; Labels: 6.1—Poison Inhalation Hazard, 3—Flammable liquid. Inhalation Hazard Zone A. PGI
läuterung methode
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.]
Inkompatibilitäten
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.

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