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
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
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114149734-A | Reflective heat-insulation polyurethane waterproof coating and preparation method thereof | 2021-12-28 |
| CN-114133911-A | Solvent-free bi-component polyurethane adhesive and application thereof | 2021-12-23 |
| CN-114085352-A | Floor washing machine rubber strip capable of sensing pressure and preparation method thereof | 2021-12-22 |
| CN-114057984-A | Low-VOCs alcohol-water-soluble PVP modified polyurethane resin and preparation method and application thereof | 2021-12-20 |
| JP-2022033191-A | Flexible polyurethane foam for microbial carriers and microbial carriers | 2021-12-20 |
| CN-114015011-A | Polyurethane composition and preparation method and application thereof | 2021-12-14 |
| 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 |
