4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate

Base Information

• Chemical Name: 4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate
• CAS No.: 94213-39-5
• Molecular Formula: C17H11 N3 O3
• Molecular Weight: 305.28754
• European Community (EC) Number: 303-743-1
• UNII: CX7ZT2ETQ7
• DSSTox Substance ID: DTXSID20241059
• Nikkaji Number: J382.521C
• Mol file: 94213-39-5.mol

Synonyms:94213-39-5;EINECS 303-743-1;4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate;4-[(5-ISOCYANATO-2-METHYLPHENYL)METHYL]-M-PHENYLENE DIISOCYANATE;2,4-diisocyanato-1-[(5-isocyanato-2-methylphenyl)methyl]benzene;CX7ZT2ETQ7;SCHEMBL10918627;DTXSID20241059;FCLSLHSWMAUISZ-UHFFFAOYSA-N;NS00040281;Benzene, 2,4-diisocyanato-1-[(5-isocyanato-2-methylphenyl)methyl]-

Chemical Property of 4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate

Chemical Property:

• Vapor Pressure: 1.79E-08mmHg at 25°C
• Boiling Point: 455.2°Cat760mmHg
• 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: 545

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N=C=O)CC2=C(C=C(C=C2)N=C=O)N=C=O