[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester
• CAS No.: 72928-30-4
• Molecular Formula: C33H31 N O2
• Molecular Weight: 473.60474
• European Community (EC) Number: 277-064-3
• DSSTox Substance ID: DTXSID3072664
• Nikkaji Number: J296.401E
• Wikidata: Q82000825
• Mol file: 72928-30-4.mol

Synonyms:72928-30-4;EINECS 277-064-3;[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester;4-Cyano-4'-biphenyl 4-heptylbiphenyl-4'-carboxylate;4'-Cyano(1,1'-biphenyl)-4-yl 4'-heptyl(1,1'-biphenyl)-4-carboxylate;(1,1'-Biphenyl)-4-carboxylic acid, 4'-heptyl-, 4'-cyano(1,1'-biphenyl)-4-yl ester;4'-CYANO[1,1'-BIPHENYL]-4-YL 4'-HEPTYL[1,1'-BIPHENYL]-4-CARBOXYLATE;7CBB;SCHEMBL7948370;DTXSID3072664;C33-H31-N-O2;4'-Heptylbiphenyl-4-carboxylic acid 4'-cyano-4-biphenylyl ester

Chemical Property of [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester

Chemical Property:

• Boiling Point: 643.4oC at 760 mmHg
• Flash Point: 332.8oC
• PSA: 50.09000
• Density: 1.15g/cm3
• LogP: 8.62438
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 473.235479232
• Heavy Atom Count: 36
• Complexity: 678

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N