5-Chloro-2-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 5-Chloro-2-(trifluoromethyl)benzonitrile
• CAS No.: 89223-58-5
• Molecular Formula: C8H3ClF3N
• Molecular Weight: 205.56400
• Hs Code.: 2926909090
• European Community (EC) Number: 679-071-0
• DSSTox Substance ID: DTXSID90590708
• Wikidata: Q82484344
• Mol file: 89223-58-5.mol

Synonyms:5-Chloro-2-(trifluoromethyl)benzonitrile;89223-58-5;SCHEMBL3907077;DTXSID90590708;MFCD06660352;3-cyano-4-trifluoromethylchlorobenzene;AKOS015956901;JS-4525;DB-325295;CS-0373234;5-chloro-2-(trifluoromethyl)benzonitrile;4-chloro-2-cyanobenzotrifluoride

Chemical Property of 5-Chloro-2-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.094mmHg at 25°C
• Boiling Point: 223.976oC at 760 mmHg
• Flash Point: 89.258oC
• PSA: 23.79000
• Density: 1.432g/cm3
• LogP: 3.23048
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 204.9906113
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

98%Min ^*data from raw suppliers

5-Chloro-2-(trifluoromethyl)benzonitrile ^*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#N)C(F)(F)F