1-Cyanoethyl-2-phenylimidazoletrimellitate (1:1)

Base Information

• Chemical Name: 1-Cyanoethyl-2-phenylimidazoletrimellitate (1:1)
• CAS No.: 68083-35-2
• Deprecated CAS: 137472-68-5,145150-84-1,87940-38-3
• Molecular Formula: C₂₁H₁₇N₃O₆
• Molecular Weight: 407.3762
• European Community (EC) Number: 268-383-9
• DSSTox Substance ID: DTXSID00929803
• Mol file: 68083-35-2.mol

Synonyms:68083-35-2;DTXSID00929803;EINECS 268-383-9;1-Cyanoethyl-2-phenylimidazoletrimellitate (1:1);Benzene-1,2,4-tricarboxylic acid, compound with 2-phenyl-1H-imidazole-1-propiononitrile (1:1)

Chemical Property of 1-Cyanoethyl-2-phenylimidazoletrimellitate (1:1)

Chemical Property:

• Vapor Pressure: 3.32E-07mmHg at 25°C
• Boiling Point: 418.3°C at 760 mmHg
• Flash Point: 206.8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 407.11173527
• Heavy Atom Count: 30
• Complexity: 474

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O