5-(p-Isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate

Base Information

• Chemical Name: 5-(p-Isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate
• CAS No.: 82151-48-2
• Molecular Formula: C17H11 N3 O3
• Molecular Weight: 305.28754
• European Community (EC) Number: 279-909-1
• DSSTox Substance ID: DTXSID501002503
• Nikkaji Number: J320.375A
• Mol file: 82151-48-2.mol

Synonyms:82151-48-2;EINECS 279-909-1;5-(p-Isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate;SCHEMBL10917270;SYQQCHZXVXQPIS-UHFFFAOYSA-N;DTXSID501002503;1,5-diisocyanato-3-[(4-isocyanatophenyl)methyl]-2-methylbenzene;NS00060443

Chemical Property of 5-(p-Isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate

Chemical Property:

• Vapor Pressure: 1.79E-08mmHg at 25°C
• Boiling Point: 455.2°C at 760 mmHg
• Flash Point: 187.7°C
• PSA: 88.29000
• Density: 1.2g/cm³
• LogP: 3.48770
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 305.08004122
• Heavy Atom Count: 23
• Complexity: 537

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1N=C=O)N=C=O)CC2=CC=C(C=C2)N=C=O

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