ISOCYANIC ACID, 4-(p-ISOCYANATOBENZYL)-m-PHENYLENE ESTER

Base Information

• Chemical Name: ISOCYANIC ACID, 4-(p-ISOCYANATOBENZYL)-m-PHENYLENE ESTER
• CAS No.: 51944-41-3
• Molecular Formula: C16H9N3O3
• Molecular Weight: 291.261
• DSSTox Substance ID: DTXSID80199921
• Nikkaji Number: J804.116D
• Mol file: 51944-41-3.mol

Synonyms:2-Cyanatodiphenylmethanediisocyanate;2,2',4-Tricyanatodiphenylmethane;4-Cyanatodiphenylmethanediisocyanate;ISOCYANIC ACID, 4-(p-ISOCYANATOBENZYL)-m-PHENYLENE ESTER;51944-41-3;SCHEMBL108775;C16H9N3O3;DTXSID80199921;C16-H9-N3-O3;LS-84452;4-(4-Isocyanatobenzyl)-1,3-phenylenediisocyanate

Chemical Property of ISOCYANIC ACID, 4-(p-ISOCYANATOBENZYL)-m-PHENYLENE ESTER

Chemical Property:

• Vapor Pressure: 5.56E-08mmHg at 25°C
• Boiling Point: 441.2°C at 760 mmHg
• Flash Point: 182°C
• Density: 1.21g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 291.06439116
• Heavy Atom Count: 22
• Complexity: 509

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=C(C=C(C=C2)N=C=O)N=C=O)N=C=O

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