3-(4-t-Butylphenyl)benzonitrile

Base Information

• Chemical Name: 3-(4-t-Butylphenyl)benzonitrile
• CAS No.: 192699-50-6
• Molecular Formula: C17H17N
• Molecular Weight: 235.32358
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00602503
• Wikidata: Q82499607
• Mol file: 192699-50-6.mol

Synonyms:3-(4-t-Butylphenyl)benzonitrile;192699-50-6;3-(4-TERT-BUTYLPHENYL)BENZONITRILE;4'-Tert-butyl[1,1'-biphenyl]-3-carbonitrile;[1,1'-Biphenyl]-3-carbonitrile, 4'-(1,1-dimethylethyl)-;SCHEMBL13761675;DTXSID00602503;MFCD06802642;AKOS004118952;BS-21991;CS-0210651;4'-(1,1-Dimethylethyl)[1,1'-biphenyl]-3-carbonitrile;4'-TERT-BUTYL-[1,1'-BIPHENYL]-3-CARBONITRILE;4 inverted exclamation marka-(1,1-Dimethylethyl)[1,1 inverted exclamation marka-biphenyl]-3-carbonitrile

Chemical Property of 3-(4-t-Butylphenyl)benzonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 4.52278
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 235.136099547
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

3-(4-t-Butylphenyl)benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=CC(=C2)C#N