5-(p-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate

Base Information

• Chemical Name: 5-(p-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate
• CAS No.: 82137-75-5
• Molecular Formula: C17H11 N3 O3
• Molecular Weight: 305.28754
• European Community (EC) Number: 279-904-4
• DSSTox Substance ID: DTXSID601002487
• Nikkaji Number: J320.374C
• Mol file: 82137-75-5.mol

Synonyms:82137-75-5;EINECS 279-904-4;5-(p-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate;1,3-diisocyanato-5-[(4-isocyanatophenyl)methyl]-2-methylbenzene;SCHEMBL10916914;PBJBHJNMKUPYFP-UHFFFAOYSA-N;DTXSID601002487;BENZENE,1,3-DIISOCYANATO-5-[(4-ISOCYANATOPHENYL)METHYL]-2-METHYL-;NS00060442

Chemical Property of 5-(p-Isocyanatobenzyl)-2-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: 509

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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