4-(4-Pentylphenyl)cyclohexane-1-carbonitrile

Base Information

• Chemical Name: 4-(4-Pentylphenyl)cyclohexane-1-carbonitrile
• CAS No.: 86871-36-5
• Molecular Formula: C18H25N
• Molecular Weight: 255.40
• DSSTox Substance ID: DTXSID50595335
• Mol file: 86871-36-5.mol

Synonyms:86871-36-5;4-(4-PENTYLPHENYL)CYCLOHEXANE-1-CARBONITRILE;Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-;SCHEMBL9625837;SCHEMBL9625840;DTXSID50595335;ATLDDLGTVWNXQE-SAABIXHNSA-N;trans-4-(p-pentylphenyl)cyclohexanecarbonitrile;4-(trans-4-n-pentylphenyl) cyclohexylcarbonitrile

Chemical Property of 4-(4-Pentylphenyl)cyclohexane-1-carbonitrile

Chemical Property:

• Melting Point: 30-55 °C(lit.)
• Boiling Point: 381 °C at 760 mmHg
• Flash Point: 185.3 °C
• PSA: 23.79000
• Density: 0.97 g/cm³
• LogP: 5.41238
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 255.198699802
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

4-(trans-4-Pentylcyclohexyl)benzonitrile 99%, liquid crystal (nematic) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2CCC(CC2)C#N