2,4,6-Trifluorobenzotrifluoride

Base Information

• Chemical Name: 2,4,6-Trifluorobenzotrifluoride
• CAS No.: 122030-04-0
• Molecular Formula: C7H2F6
• Molecular Weight: 200.08
• Hs Code.: 29036990
• European Community (EC) Number: 680-751-4
• DSSTox Substance ID: DTXSID80370091
• Nikkaji Number: J700.805H
• Wikidata: Q82157411
• Mol file: 122030-04-0.mol

Synonyms:2,4,6-Trifluorobenzotrifluoride;122030-04-0;1,3,5-trifluoro-2-(trifluoromethyl)benzene;Benzene, 1,3,5-trifluoro-2-(trifluoromethyl)-;MFCD00190109;SCHEMBL4218653;2,4,6-Trifluorobenzotrifluorode;DTXSID80370091;2,4,6-tri-fluorobenzotrifluoride;BBL103565;STL557375;AKOS015890098;AC-4153;AM61743;2,4,6-Trifluorobenzotrifluoride, 96%;2,4,6-Trifluorobenzotrifluoride, 97%;MS-20656;2,4,6-Trifluoro-1-(trifluoromethyl)benzene;FT-0609864;FT-0609865;A21466;E76993;alpha,alpha,alpha,2,4,6-Hexafluorotoluene;1,3,5-Trifluoro-2-(trifluoromethyl)benzene

Chemical Property of 2,4,6-Trifluorobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 5.11E-05mmHg at 25°C
• Refractive Index: 1.384-1.386
• Boiling Point: 107.6 °C at 760 mmHg
• Flash Point: 21.4 °C
• PSA: 0.00000
• Density: 1.475 g/cm³
• LogP: 3.12270
• Storage Temp.: Flammables area
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 200.00606904
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

2,4,6-Trifluorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38-11
• Safety Statements: 26-36-37/39-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C(F)(F)F)F)F
• Uses: 2,4,6-Trifluorobenzotrifluoride finds its application as an intermediate in organic syntheses.