1-Isocyanato-4-(2-isocyanatoethyl)benzene

Base Information

• Chemical Name: 1-Isocyanato-4-(2-isocyanatoethyl)benzene
• CAS No.: 114096-85-4
• Molecular Formula: C₁₀H₈N₂O₂
• Molecular Weight: 188.186
• DSSTox Substance ID: DTXSID30605183
• Nikkaji Number: J803.988G
• Mol file: 114096-85-4.mol

Synonyms:114096-85-4;1-Isocyanato-4-(2-isocyanatoethyl)benzene;SCHEMBL670773;DTXSID30605183

Chemical Property of 1-Isocyanato-4-(2-isocyanatoethyl)benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN=C=O)N=C=O

Technology Process of 1-Isocyanato-4-(2-isocyanatoethyl)benzene

There total 2 articles about 1-Isocyanato-4-(2-isocyanatoethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

phosgene (75-44-5) + p-Aminophenethylamine (13472-00-9) → 1-isocyanato-4-(2-isocyanato-ethyl)-benzene (114096-85-4)

Guidance literature:

Reference yield:

→ 1-isocyanato-4-(2-isocyanato-ethyl)-benzene (114096-85-4)

Guidance literature:

DOI:10.1021/je60007a029

upstream raw materials:

phosgene

p-Aminophenethylamine