5-Fluoro-2-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 5-Fluoro-2-(trifluoromethyl)benzonitrile
• CAS No.: 240800-45-7
• Molecular Formula: C8H3F4N
• Molecular Weight: 189.112
• Hs Code.: 2926909090
• European Community (EC) Number: 640-326-6
• DSSTox Substance ID: DTXSID20372135
• Wikidata: Q72477330
• Mol file: 240800-45-7.mol

Synonyms:5-fluoro-2-(trifluoromethyl)benzonitrile;240800-45-7;MFCD00236281;Benzonitrile, 5-fluoro-2-(trifluoromethyl)-;2-Cyano-4-fluorobenzotrifluoride;5-fluoro-2-trifluoromethylbenzonitrile;SCHEMBL325632;DTXSID20372135;CL8228;AKOS006228409;AM82838;CS-W015970;PS-8423;5-fluoro-2-trifluoromethyl-benzonitrile;SY009038;3-cyano-4-trifluoromethyl-1-fluorobenzene;5-FLUORO-2-TRIFLUROMETHYLBENZONITRILE;FT-0676159;EN300-112636;A817074;5-Fluoro-2-(trifluoromethyl)benzonitrile, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 0.399mmHg at 25°C
• Melting Point: 150-155?°C(lit.)
• Refractive Index: 1.443
• Boiling Point: 196.4 °C at 760 mmHg
• Flash Point: 88.9 °C
• PSA: 23.79000
• Density: 1.37 g/cm³
• LogP: 2.71618
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 189.02016175
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

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

5-Fluoro-2-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C#N)C(F)(F)F