2-(4-Chloro-2-(trifluoromethyl)phenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Chloro-2-(trifluoromethyl)phenyl)acetonitrile
• CAS No.: 85386-80-7
• Molecular Formula: C9H5ClF3N
• Molecular Weight: 219.594
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID30395259
• Wikidata: Q72460162
• Mol file: 85386-80-7.mol

Synonyms:85386-80-7;2-(4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE;4-Chloro-2-(trifluoromethyl)phenylacetonitrile;2-[4-chloro-2-(trifluoromethyl)phenyl]acetonitrile;SCHEMBL549178;DTXSID30395259;MFCD04115841;AKOS015919680;DS-1695;CS-0269259;FT-0730081;EN300-1931655;A863599

Chemical Property of 2-(4-Chloro-2-(trifluoromethyl)phenyl)acetonitrile

Chemical Property:

• Boiling Point: 234.8±35.0℃ (760 Torr)
• Flash Point: 95.8±25.9℃
• PSA: 23.79000
• Density: 1.363±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 3.42488
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

98%min ^*data from raw suppliers

2-(4-Chloro-2-(trifluoromethyl)phenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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