2-((2-Isocyanatocyclohexyl)methyl)-p-tolyl isocyanate

Base Information

• Chemical Name: 2-((2-Isocyanatocyclohexyl)methyl)-p-tolyl isocyanate
• CAS No.: 93805-52-8
• Molecular Formula: C16H18 N2 O2
• Molecular Weight: 270.32632
• European Community (EC) Number: 298-536-5
• DSSTox Substance ID: DTXSID60917786
• Mol file: 93805-52-8.mol

Synonyms:EINECS 298-536-5;93805-52-8;2-((2-Isocyanatocyclohexyl)methyl)-p-tolyl isocyanate;DTXSID60917786;1-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-4-methylbenzene

Chemical Property of 2-((2-Isocyanatocyclohexyl)methyl)-p-tolyl isocyanate

Chemical Property:

• Vapor Pressure: 1.94E-06mmHg at 25°C
• Boiling Point: 394.7°Cat760mmHg
• Flash Point: 163°C
• PSA: 58.86000
• Density: 1.14g/cm³
• LogP: 3.39940
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 270.136827821
• Heavy Atom Count: 20
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N=C=O)CC2CCCCC2N=C=O