3-Fluoro-5-(trifluoromethyl)phenylacetonitrile

Base Information

• Chemical Name: 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile
• CAS No.: 239087-12-8
• Molecular Formula: C9H5F4N
• Molecular Weight: 203.139
• Hs Code.: 2926909090
• European Community (EC) Number: 671-325-9
• DSSTox Substance ID: DTXSID40372172
• Wikidata: Q72477531
• Mol file: 239087-12-8.mol

Synonyms:3-Fluoro-5-(trifluoromethyl)phenylacetonitrile;239087-12-8;3-Fluoro-5-(trifluoromethyl)benzyl cyanide;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;2-(3-fluoro-5-(trifluoromethyl)phenyl)acetonitrile;Benzeneacetonitrile, 3-fluoro-5-(trifluoromethyl)-;3-fluoro-5-trifluoromethylbenzyl cyanide;MFCD00061181;3-fluoro-5-(trifluoromethyl)-phenylacetonitrile;SCHEMBL624478;DTXSID40372172;CK1018;AKOS005064040;AC-9791;AM82826;PS-8167;SY106572;3-fluoro-5-trifluoromethylphenylacetonitrile;CS-0100198;FT-0659305;A21820;(3-Fluoro-5-trifluoromethyl-phenyl)-acetonitrile

Chemical Property of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.245mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 205.8 °C at 760 mmHg
• Flash Point: 89.6 °C
• PSA: 23.79000
• Density: 1.325 g/cm³
• LogP: 2.91058
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 203.03581181
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoro-5-(trifluoromethyl)phenylacetonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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