4-Fluoro-3-(trifluoromethoxy)benzonitrile

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethoxy)benzonitrile
• CAS No.: 886501-14-0
• Molecular Formula: C8H3F4NO
• Molecular Weight: 205.11
• Hs Code.: 2926909090
• European Community (EC) Number: 640-303-0
• DSSTox Substance ID: DTXSID20590655
• Wikidata: Q82484291
• Mol file: 886501-14-0.mol

Synonyms:4-Fluoro-3-(trifluoromethoxy)benzonitrile;886501-14-0;DTXSID20590655;QTSJFYSQJUUNAY-UHFFFAOYSA-N;MFCD06660253;AKOS015957000;PS-8112;DB-184840;CS-0107225;5-Cyano-alpha,alpha,alpha,2-tetrafluoroanisole, 5-Cyano-2-fluorophenyl trifluoromethyl ether

Chemical Property of 4-Fluoro-3-(trifluoromethoxy)benzonitrile

Chemical Property:

• Vapor Pressure: 0.536mmHg at 25°C
• Refractive Index: 1.4400
• Boiling Point: 190.7°C at 760 mmHg
• Flash Point: 69.1°C
• PSA: 33.02000
• Density: 1.42g/cm³
• LogP: 2.59598
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 205.01507637
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98% ^*data from raw suppliers

4-Fluoro-3-(trifluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)OC(F)(F)F)F