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

Odor

sharp pungent odor

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)

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

F 

10-19-21

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

I

HS Code 

29291090

Hazardous Substances Data

3173-53-3(Hazardous Substances Data)

MSDS

• Language:English Provider:Isocyanatocyclohexane
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Isocyanatocyclohexane Usage And Synthesis

Description

Cyclohexyl isocyanate is a clear, flammableliquid. It has a sharp, pungent odor. Molecularweight=125.19; Specific gravity (H2O:1): 0.98; Boilingpoint=168℃; Flash point=48℃ (cc). HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 2, Reactivity 0. Soluble in water(reaction).

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.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least30 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.Medical observation is recommended for 24-48 h afterbreathing overexposure, as pulmonary edema may bedelayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a corticosteroid spray.

storage

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Color Code—Blue: Health Hazard/Poison: Store in a securepoison location. Prior to working with cyclohexyl isocyanate you should be trained on its proper handling and storage. Cyclohexyl isocyanate must be stored to avoid contactwith moisture and temperatures above 93℃, since violentreactions occur. Store in tightly closed containers in a cool,well-ventilated area away from water, strong bases, alcohol,metal compounds, or surface-active materials. Use onlynonsparking tools and equipment, especially when openingand closing containers of this chemical. Sources of ignition,such as smoking and open flames, are prohibited where thischemical is used, handled, or stored in a manner that couldcreate a potential fire or explosion hazard

Shipping

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

Incompatibilities

Cyclohexyl isocyanate polymerize due toheating above 93℃/200°F and under the influence of various chemicals including organometallic compounds.Cyclohexyl isocyanate decomposes in fire, forming toxichydrogen cyanide and nitrogen oxides fumes. Reacts withoxidizers, strong bases, water, alcohol, acids, amines, metalcompounds, surface-active materials

Isocyanatocyclohexane(3173-53-3)Related Product Information

• Cyclohexylboronic acid
• CYCLOHEXYL ISOTHIOCYANATE
• Guanidine thiocyanate
• Isopropyl isocyanate
• Isomalt
• BENZYL ISOTHIOCYANATE
• Phenyl isothiocyanate
• Methyl isothiocyanate
• Butyl isocyanate
• Benzyl isocyanate
• Propyl isocyanate
• Ethyl isocyanate
• Octadecyl isocyanate
• TERT-BUTYL ISOCYANIDE
• (1S,2S)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE
• Isophorone diisocyanate
• (1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE
• CYCLOPENTYL ISOTHIOCYANATE