Bis(isocyanatomethyl)benzene

Base Information

• Chemical Name: Bis(isocyanatomethyl)benzene
• CAS No.: 25854-16-4
• Deprecated CAS: 116846-29-8,117617-46-6
• Molecular Formula: C10H8 N2 O2
• Molecular Weight: 188.18
• European Community (EC) Number: 247-299-6
• DSSTox Substance ID: DTXSID20922174
• Nikkaji Number: J164.782B
• Mol file: 25854-16-4.mol

Synonyms:1,2-bis(isocyanatomethyl)benzene;25854-16-4;Bis(isocyanatomethyl)benzene;Xylylene diisocyanate;Benzene,bis(isocyanatomethyl)-;Benzene, bis(isocyanatomethyl)-;EINECS 247-299-6;SCHEMBL127043;DTXSID20922174;FKTHNVSLHLHISI-UHFFFAOYSA-N;alpha,alpha'-Diisocyanato-o-xylene;Isocyanic acid, phenylenedimethylene ester;116846-29-8

Chemical Property of Bis(isocyanatomethyl)benzene

Chemical Property:

• Refractive Index: 1.552
• Boiling Point: 288.2°Cat760mmHg
• Flash Point: 116.6°C
• PSA: 58.86000
• Density: 1.11g/cm³
• LogP: 1.35820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

1,2-Bis(isocyanatomethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN=C=O)CN=C=O