1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile

Base Information

• Chemical Name: 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
• CAS No.: 214262-93-8
• Molecular Formula: C13H13ClFN
• Molecular Weight: 237.7
• DSSTox Substance ID: DTXSID40352934
• Wikidata: Q82130368
• Mol file: 214262-93-8.mol

Synonyms:214262-93-8;1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBONITRILE;1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrile;SCHEMBL1021621;DTXSID40352934;AKOS012334430;AC-12412

Chemical Property of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile

Chemical Property:

• Appearance/Colour: almost white lumps
• Vapor Pressure: 5.07E-05mmHg at 25°C
• Melting Point: 58-65 °C
• Refractive Index: 1.544
• Boiling Point: 348.3 °C at 760 mmHg
• Flash Point: 164.5 °C
• PSA: 23.79000
• Density: 1.21 g/cm³
• LogP: 4.20458
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 237.0720553
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C#N)C2=C(C=C(C=C2)F)Cl

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