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Isopropyl isocyanate

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Isopropyl isocyanate Basic information

Product Name:
Isopropyl isocyanate
Synonyms:
  • ISOCYANIC ACID ISOPROPYL ESTER
  • ISOPROPYL ISOCYANATE
  • 2-isocyanato-propan
  • i-pic
  • propylisocyanate(non-specificname)
  • --- D/C 09 --- Isopropyl isocyanate 100mg [1795-48-8]
  • 2-Isocyanatopropane
  • Isorpopyl Isocyanate
CAS:
1795-48-8
MF:
C4H7NO
MW:
85.1
EINECS:
217-276-5
Product Categories:
  • Isocyanates
  • Nitrogen Compounds
  • Organic Building Blocks
Mol File:
1795-48-8.mol
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Isopropyl isocyanate Chemical Properties

Melting point:
<-75℃
Boiling point:
74-75 °C(lit.)
Density 
0.866 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.382(lit.)
Flash point:
27 °F
storage temp. 
2-8°C
solubility 
Chloroform (Soluble), Ethyl Acetate
form 
Oil
color 
Colourless
Water Solubility 
Insoluble
Sensitive 
Moisture Sensitive
BRN 
969356
Stability:
Hygroscopic, Light Sensitive, Moisture Sensitive, Volatile
CAS DataBase Reference
1795-48-8(CAS DataBase Reference)
EPA Substance Registry System
Propane, 2-isocyanato- (1795-48-8)
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Safety Information

Hazard Codes 
F,T+,Xi
Risk Statements 
11-26-36/37/38-42
Safety Statements 
16-23-26-36/37/39-45
RIDADR 
UN 2483 3/PG 1
WGK Germany 
1
10-21
TSCA 
Y
HazardClass 
3
PackingGroup 
I
HS Code 
29291090

MSDS

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Isopropyl isocyanate Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

Isopropyl isocyanate is used as a reagent in the preparation of androgen receptor antagonist for prostate cancer treatment. It is also used in the synthesis of selective dual inhibitor of mammalian target of rapamycin (mTORC1 and mTORC2). Further, it serves as a reagent in the synthesis of O-aryl N-isopropylcarbamates. In addition to this, it is used as a derivatization reagent during the stereoisomeric analysis of secondary alcohols.

General Description

A colorless liquid with a pungent odor. Insoluble in water. Flash point near 60°F. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Isocyanates and thioisocyanates, such as Isopropyl 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.

Isopropyl isocyanate Preparation Products And Raw materials

Preparation Products

Isopropyl isocyanateSupplier

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