TRANS-1,4-CYCLOHEXANE DIISO CYANATE

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
3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
166.074227566 g/mol
Monoisotopic Mass
166.074227566 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
205
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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JP-2022033191-A Flexible polyurethane foam for microbial carriers and microbial carriers 2021-12-20
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CN-114163603-A Polyurethane microporous elastomer and preparation method and application thereof 2021-12-13
CN-114015054-A Phthalic anhydride organic silicon dihydric alcohol, preparation method and thermoplastic phenyl silicon polyurethane adhesive 2021-12-09
CN-114133886-A Automobile paint surface protective film 2021-12-07
CN-114163968-A Double-component polyurethane adhesive and using method thereof 2021-12-06
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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