2,3,4-Trifluorophenylacetonitrile

Base Information

• Chemical Name: 2,3,4-Trifluorophenylacetonitrile
• CAS No.: 243666-13-9
• Molecular Formula: C8H4F3N
• Molecular Weight: 171.12
• Hs Code.: 2926909090
• European Community (EC) Number: 641-353-6
• DSSTox Substance ID: DTXSID90380727
• Wikidata: Q72513222
• Mol file: 243666-13-9.mol

Synonyms:2,3,4-Trifluorophenylacetonitrile;243666-13-9;2-(2,3,4-trifluorophenyl)acetonitrile;2,3,4-Trifluorobenzyl cyanide;SCHEMBL332998;DTXSID90380727;CK1026;MFCD00061234;AKOS006227800;DS-4914;CS-0157192;FT-0676278;A817249;J-015468

Chemical Property of 2,3,4-Trifluorophenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Refractive Index: 1.468
• Boiling Point: 217.241 °C at 760 mmHg
• Flash Point: 85.185 °C
• PSA: 23.79000
• Density: 1.334 g/cm³
• LogP: 2.16998
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 171.02958362
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

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

2,3,4-Trifluorophenylacetonitrile ^*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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1CC#N)F)F)F