Isocyanatocyclohexane

Isocyanatocyclohexane Basic information
Product Name:Isocyanatocyclohexane
Synonyms:Isocyanic Acid CycL;Cyclohexyl isocyanate ,99%;nsc87419;Cyclohexylisoc;Isocyanatocyclohexane;ISOCYANIC ACID CYCLOHEXYL ESTER;Isocyanic acid,cyelohexyl ester;isocyanato-cyclohexan
CAS:3173-53-3
MF:C7H11NO
MW:125.17
EINECS:221-639-3
Product Categories:Organic Building Blocks;ester series;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Pharmaceutical Intermediates;API intermediates;Isocyanates;Nitrogen Compounds;Elisa Kit-plant ELISA Kit
Mol File:3173-53-3.mol
Isocyanatocyclohexane Structure
Isocyanatocyclohexane Chemical Properties
Melting point -80 °C
Boiling point 168-170 °C(lit.)
density 0.98 g/mL at 25 °C(lit.)
vapor pressure 1.83 psi ( 20 °C)
refractive index n20/D 1.455(lit.)
Fp 120 °F
storage temp. Flammables area
solubility Chloroform (Sparingly)
form Liquid
color Clear colorless to light amber
Odorsharp pungent odor
Water Solubility decomposes
Sensitive Moisture Sensitive
BRN 507983
Exposure limitsACGIH: TWA 25 ppm; STEL 50 ppm
OSHA: Ceiling 50 ppm(300 mg/m3)
NIOSH: IDLH 200 ppm; Ceiling 50 ppm(300 mg/m3)
Stability:Stability Flammable. Incompatible with water, strong oxidizing agents, alcohols, strong bases, amines, acids, copper alloys, aluminium. May polymerize if exposed to moisture.
CAS DataBase Reference3173-53-3(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexylisocyanate(3173-53-3)
EPA Substance Registry SystemCyclohexyl isocyanate (3173-53-3)
Safety Information
Hazard Codes T+,N
Risk Statements 10-21/22-26-36/37/38-42-50-34
Safety Statements 26-28-36/37-45-57-36/37/39-29-28A-23-16
RIDADR UN 2488 6.1/PG 1
WGK Germany 2
RTECS NQ8650000
10-19-21
TSCA Yes
HazardClass 6.1
PackingGroup I
HS Code 29291090
Hazardous Substances Data3173-53-3(Hazardous Substances Data)
MSDS Information
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Isocyanatocyclohexane English
SigmaAldrich English
ACROS English
ALFA English
Isocyanatocyclohexane Usage And Synthesis
Chemical Propertiescolourless or light yellow liquid
Chemical PropertiesCyclohexyl isocyanate is a clear, flammable liquid. It has a sharp, pungent odor.
UsesCyclohexyl Isocyanate reacts with isoquinoline to prepare of Gliquidone through condensation reaction in a solvent under the action of base.
DefinitionChEBI: An isocyanate comprising a cyclohexane core with a single isocyanato substituent.
General DescriptionA yellowish liquid with an irritating odor. Insoluble in water. Flash point 127°F. Very toxic by inhalation, skin absorption and ingestion. Used to make pharmaceuticals and agricultural chemicals.
Air & Water ReactionsFlammable. Insoluble in water. Reacts slowly with water to form the amine and CO2.
Reactivity ProfileIsocyanates and thioisocyanates 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 HazardTOXIC; 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 HazardHIGHLY 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.
Safety ProfilePoison by intravenous and intraperitoneal routes. Mutation data reported. A flammable liquid when exposed to heat or flame. When heated to decomposition it emits toxic fumes of NOx. See also CYANATES and ESTERS.
Potential ExposureThe material is used in the synthesis of agricultural chemicals.
ShippingUN2488 Cyclohexyl isocyanate, Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquid, Inhalation Hazard Zone B.
Oxirane, methyl-, polymer with 1,1-methylenebis4-isocyanatocyclohexane and oxirane (1S,2S)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE Poly(oxy-1,2-ethanediyl),.alpha.-hydro-.omega.-hydroxy-,polymer with 1,1'-methylenebis[4-isocyanatocyclohexane],1-decanol-blocked Exo-2-norbornylisocyanate 1-ADAMANTYL ISOCYANATE 2-Oxepanone, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] (1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE CBI-BB ZERO/008510 Isophorone diisocyanate Poly(oxy-1,4-butanediyl), .alpha.-hydro-.omega.-hydroxy-, polymer with 1,1-methylenebis4-isocyanatocyclohexane 2,2'-Oxybisethanol polymer with α-hydro-ω-hydroxypoly(oxy-1,4-butanediyl) and 1,1'-methylenebis[4-isocyanatocyclohexane] Methylene-bis(4-cyclohexylisocyanate) trans-4-Methycyclohexyl isocyanate 1-butyl-4-isocyanatocyclohexane 2-Oxepanone,polymer with 1,1'-methylenebis[4-isocyanatocyclohexane] and 2,2'-oxybis[ethanol],2-hydroxyethyl acrylate-blocked Isocyanatocyclohexane Polyoxy(methyl-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, polymer with 1,1-methylenebis4-isocyanatocyclohexane TRANS-1,4-CYCLOHEXANE DIISOCYANATE

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