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TRANS-1,4-CYCLOHEXANE DIISO CYANATE

TRANS-1,4-CYCLOHEXANE DIISO CYANATE

Name: TRANS-1,4-CYCLOHEXANE DIISO CYANATE
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.17700

CAS Number:

7517-76-2

Catalog Number:

7517-76-2

Product Information

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.17700

Description

TRANS-1,4-CYCLOHEXANE DIISO CYANATE is an indispensable compound in the realm of biomedicine and assumes a paramount significance owing to its multifarious applications. This compound proves instrumental in the intricate process of drug synthesis for the treatment of grave ailments including cancer, asthma, and autoimmune disorders. Its extraordinariness lies in its idiosyncratic chemical properties that render it an invaluable cornerstone for fabricating tailored therapeutics directed towards precise molecular targets.

Synonyms

Bromoethylene

IUPAC Name

1,4-diisocyanatocyclohexane

Canonical SMILES

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

InChI Key

CDMDQYCEEKCBGR-UHFFFAOYSA-N

Boiling Point

145-146°C 32mm

Melting Point

59-62°C(lit.)

Flash Point

Not applicable

Purity

95%

Density

1.21g/cm3

Safety Information

Hazards

H301 + H311 + H331 - H314 - H334

Precautionary Statement

P260 - P280 - P301 + P310 + P330 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

166.074227566 g/mol

Monoisotopic Mass

166.074227566 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

205

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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