5-Chloro-2-(Trifluoromethyl)Phenylacetonitrile

Base Information

• Chemical Name: 5-Chloro-2-(Trifluoromethyl)Phenylacetonitrile
• CAS No.: 261763-26-2
• Molecular Formula: C9H5 Cl F3 N
• Molecular Weight: 219.594
• Hs Code.: 2926909090
• European Community (EC) Number: 670-752-8
• DSSTox Substance ID: DTXSID30380786
• Wikidata: Q82171235
• Mol file: 261763-26-2.mol

Synonyms:261763-26-2;5-Chloro-2-(Trifluoromethyl)Phenylacetonitrile;2-[5-chloro-2-(trifluoromethyl)phenyl]acetonitrile;2-(5-chloro-2-(trifluoromethyl)phenyl)acetonitrile;Benzeneacetonitrile, 5-chloro-2-(trifluoromethyl)-;MFCD01631357;[5-Chloro-2-(trifluoromethyl)phenyl]acetonitrile;3-Chloro-2-6-(trifluoromethyl)phenylacetonitrile;SCHEMBL4596213;DTXSID30380786;CL9420;AKOS015850448;JS-4172;CS-0206452;5-Chloro-2-(trifluoromethyl)phenylacetonitrile, 97%

Chemical Property of 5-Chloro-2-(Trifluoromethyl)Phenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.0285mmHg at 25°C
• Melting Point: 61-63°C
• Refractive Index: 1.477
• Boiling Point: 245.6°Cat760mmHg
• Flash Point: 102.3°C
• PSA: 23.79000
• Density: 1.363g/cm³
• LogP: 3.42488
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 219.0062613
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-(trifluoromethyl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 23/24/25
• Safety Statements: 23-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CC#N)C(F)(F)F