Structure via PubChem · Public domain (PubChem)
benzotrifluoride
Sign in to saveAlso known as omega-trifluorotoluene, trifluoromethylbenzene, phenylfluoroform, alpha,alpha,alpha-trifluorotoluene, CF3Ph, C6H5CF3, PhCF3
Trifluorotoluene is an organic compound with the formula of C6H5CF3. This colorless fluorocarbon is used as a specialty solvent in organic synthesis and an intermediate in the production of pesticides and pharmaceuticals.
Chemical data
- Formula
- C7H5F3
- Molecular weight
- 146.11 g/mol
- IUPAC name
- trifluoromethylbenzene
- SMILES
- C1=CC=C(C=C1)C(F)(F)F
- InChIKey
- GETTZEONDQJALK-UHFFFAOYSA-N
- XLogP
- 3
- Polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- per- and polyfluoroalkyl substances
- Mass
- 146.034
Show 7 more facts
- chemical formula
- C₇H₅F₃
- canonical SMILES
- C1=CC=C(C=C1)C(F)(F)F
- Commons category
- Trifluoromethylbenzene
- melting point
- -29.1
- electric dipole moment
- 2.86
- ionization energy
- 9.69
- boiling point
- 102.1
Sources (2)
via Wikidata · CC0
~2 min read
Encyclopedic overview
6 sectionsContents
- Synthesis
- Uses
- Solvent
- Synthetic intermediate
- Analytics
- References
Trifluorotoluene is an organic compound with the formula of C6H5CF3. This colorless fluorocarbon is used as a specialty solvent in organic synthesis and an intermediate in the production of pesticides and pharmaceuticals.
==Synthesis== Industrial production is done by reacting benzotrichloride with hydrogen fluoride in a pressurized reactor. PhCCl3 + 3 HF → PhCF3 + 3 HCl
Excerpted from Wikipedia’s “benzotrifluoride” article, available under the CC BY-SA 4.0 licence.
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