CID 6453678

Base Information

• Chemical Name: CID 6453678
• CAS No.: 58698-66-1
• Molecular Formula: C41H22N4O11
• Molecular Weight: 746.63358
• European Community (EC) Number: 611-734-1
• Mol file: 58698-66-1.mol

Synonyms:58698-66-1;2,4-diisocyanato-1-methylbenzene;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;SCHEMBL8209364

Chemical Property of CID 6453678

Chemical Property:

• Boiling Point: 638.8°Cat760mmHg
• Flash Point: 286.2°C
• PSA: 221.53000
• Density: g/cm³
• LogP: 6.68040
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 746.12850753
• Heavy Atom Count: 56
• Complexity: 1190

Purity/Quality:

99% ^*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)N=C=O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O