1,4-Diisocyanatocyclohexane

Basic Information

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CAS Number

2556-36-7

Molecular Formula

C8H10N2O2

Molecular Weight

166.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

55 ºC

Boiling Point

136 ºC (15 Torr)

Flash Point

94.7±30.7 ºC,

SMILES

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C1CC(CCC1N=C=O)N=C=O

InChI

InChI=1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2

InChIKey

CDMDQYCEEKCBGR-UHFFFAOYSA-N

LogP

0.9692000000000001

Topological Polar Surface Area

58.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

205

Safety Information

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Hazard Class

Class 8 Class 8

Synonyms & References

English

trans-1,4-Diisocyanatocyclohexane
cyclohex-1,4-ylene diisocyanate
FT-0655856
7517-77-3
cis-1,4-Diisocyanatocyclohexane
MFCD00074787
SCHEMBL21378
cyclohexane-1,4-diisocyanate
(1R,4R)-1,4-DIISOCYANATOCYCLOHEXANE
MFCD00010372
1,4-Cyclohexane diisocyanate
1,4-cyclohexyl di-isocyanate
SCHEMBL18697520
CDMDQYCEEKCBGR-UHFFFAOYSA-N
AS-64338
Cyclohexane, 1,4-diisocyanato-
D5635
hexahydro-1,4-phenylene diisocyanate
7517-76-2
NS00027917
EINECS 219-869-4
Cyclohexane, 1,4-diisocyanato-, trans-
DTXSID8062521
transcyclohexane-1,4-diisocyanate
1,4-cyclohexylenediisocyanate
2556-36-7
AKOS015853887
A838341
trans-1,4-Cyclohexylene diisocyanate, 97%
Trans-1,4-Cyclohexane Diisocyanate
GEO-03382

MDL Number

MFCD00010372

FAQ

What are the physical and chemical properties of 1,4-Diisocyanatocyclohexane (CAS: 2556-36-7)?

1,4-Diisocyanatocyclohexane (CAS: 2556-36-7) is a colorless, clear liquid with a molecular weight of approximately 132.17 g/mol. It is poorly soluble in water but soluble in organic solvents. This compound is highly reactive due to the presence of two isocyanate groups, making it a key component in polyurethane synthesis. It solidifies at low temperatures and has a boiling point around 216°C.

How is 1,4-Diisocyanatocyclohexane (CAS: 2556-36-7) typically synthesized?

1,4-Diisocyanatocyclohexane (CAS: 2556-36-7) is typically synthesized through the amination of 1,4-cyclohexanedicarboxylic anhydride with dicyclohexylamine. This process involves the use of a catalyst such as potassium carbonate. The reaction is carried out under an inert atmosphere to prevent side reactions. High selectivity and yield can be achieved under optimized conditions.

What industries use 1,4-Diisocyanatocyclohexane (CAS: 2556-36-7)?

1,4-Diisocyanatocyclohexane (CAS: 2556-36-7) is widely used in the polymer industry, particularly in the production of polyurethane elastomers and coatings. It is also utilized in the pharmaceutical industry for certain polymer-based drug delivery systems. Additionally, it finds applications in the manufacturing of adhesives, sealants, and rigid foams. Its versatility makes it a valuable chemical in various high-tech applications such as sensors and semiconductors.

What precautions should be taken when handling 1,4-Diisocyanatocyclohexane (CAS: 2556-36-7)?

When handling 1,4-Diisocyanatocyclohexane (CAS: 2556-36-7), it is essential to use proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be managed using appropriate absorbents, and the area should be thoroughly cleaned. Always consult the Safety Data Sheet (SDS) for detailed information on handling, storage, and emergency procedures.