benzotrifluoride

Also 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.

In the Vinony graph

Vinony's link graph records 256 inbound references to benzotrifluoride, and connects out to trifluoroiodomethane, fluorine and International Standard Book Number.

Vinony files it under Aromatic solvents, ECHA InfoCard ID from Wikidata and Halogenated solvents.

Vinony links it to 14 Wikipedia language editions.

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 Å²
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)

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Encyclopedic overview

6 sections

Contents

Synthesis
Uses
Solvent
Synthetic intermediate
Analytics
References

==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.