5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one

Base Information

• Chemical Name: 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one
• CAS No.: 58675-12-0
• Molecular Formula: C18H28N2O4
• Molecular Weight: 336.4259
• DSSTox Substance ID: DTXSID80965603

Synonyms:58675-12-0;DTXSID80965603;(C12-H18-N2-O2.C6-H10-O2)x-;Oxepan-2-one--5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (1/1);51316-00-8

Chemical Property of 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one

Chemical Property:

• Vapor Pressure: 0.00257mmHg at 25°C
• Boiling Point: 286.9°Cat760mmHg
• Flash Point: 116°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 336.20490738
• Heavy Atom Count: 24
• Complexity: 441

Purity/Quality:

99.0%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)OCC1

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