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Isocyanatocyclohexane

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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
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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.)
Flash point:
120 °F
storage temp. 
Flammables area
solubility 
Chloroform (Sparingly)
form 
Liquid
color 
Clear colorless to light amber
Water Solubility 
decomposes
Sensitive 
Moisture Sensitive
BRN 
507983
Exposure limits
ACGIH: 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 Reference
3173-53-3(CAS DataBase Reference)
NIST Chemistry Reference
Cyclohexylisocyanate(3173-53-3)
EPA Substance Registry System
Cyclohexyl isocyanate (3173-53-3)
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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 Data
3173-53-3(Hazardous Substances Data)

MSDS

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Isocyanatocyclohexane Usage And Synthesis

Chemical Properties

colourless or light yellow liquid

Chemical Properties

Cyclohexyl isocyanate is a clear, flammable liquid. It has a sharp, pungent odor.

Uses

Cyclohexyl Isocyanate reacts with isoquinoline to prepare of Gliquidone through condensation reaction in a solvent under the action of base.

Definition

ChEBI: An isocyanate comprising a cyclohexane core with a single isocyanato substituent.

General Description

A 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 Reactions

Flammable. Insoluble in water. Reacts slowly with water to form the amine and CO2.

Reactivity Profile

Isocyanates 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 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.

Safety Profile

Poison 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 Exposure

The material is used in the synthesis of agricultural chemicals.

Shipping

UN2488 Cyclohexyl isocyanate, Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquid, Inhalation Hazard Zone B.

Isocyanatocyclohexane Preparation Products And Raw materials

Preparation Products

Raw materials

IsocyanatocyclohexaneSupplier

Shanghai Boyle Chemical Co., Ltd.
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021-50182298 021-50180596
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J & K SCIENTIFIC LTD.
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010-82848833 400-666-7788
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Meryer (Shanghai) Chemical Technology Co., Ltd.
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18621169109
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Alfa Aesar
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400-6106006
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TCI (Shanghai) Development Co., Ltd.
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021-67121386
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Sales-CN@TCIchemicals.com