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HomeProduct name listIsopropyl isocyanate

Isopropyl isocyanate

  • CAS NO.:1795-48-8
  • Empirical Formula: C4H7NO
  • Molecular Weight: 85.1
  • MDL number: MFCD00002037
  • EINECS: 217-276-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-08-15 17:37:19
Isopropyl isocyanate Structural

What is Isopropyl isocyanate?

Chemical properties

Colorless liquid

The Uses of Isopropyl isocyanate

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.

Properties of Isopropyl isocyanate

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)

Safety information for Isopropyl isocyanate

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H330:Acute toxicity,inhalation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Isopropyl isocyanate

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