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CHEBI:36810 - (trifluoromethyl)benzene

Default Structure
ChEBI IDCHEBI:36810
ChEBI Name(trifluoromethyl)benzene
Stars
DefinitionA fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.
Last Modified7 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H5F3
Net Charge0
Average Mass146.111
Monoisotopic Mass146.03433
SMILESFC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyGETTZEONDQJALK-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
solvent  A substance that dissolves other substances (solutes) to form a solution without any change in their chemical composition.
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Application:
solvent  A substance that dissolves other substances (solutes) to form a solution without any change in their chemical composition.
ChEBI Ontology
Outgoing Relation(s)
(trifluoromethyl)benzene (CHEBI:36810) has functional parent fluoroform (CHEBI:41550)
(trifluoromethyl)benzene (CHEBI:36810) has role environmental contaminant (CHEBI:78298)
(trifluoromethyl)benzene (CHEBI:36810) has role solvent (CHEBI:46787)
(trifluoromethyl)benzene (CHEBI:36810) is a (trifluoromethyl)benzenes (CHEBI:83565)
(trifluoromethyl)benzene (CHEBI:36810) is a fluorohydrocarbon (CHEBI:46695)
Incoming Relation(s)
4-(trifluoromethyl)phenol (CHEBI:42578) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
flufenamate (CHEBI:520819) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
flufenamic acid (CHEBI:42638) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
fluoxetine (CHEBI:5118) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
fluvoxamine (CHEBI:5138) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
IUPAC Name 
(trifluoromethyl)benzene
Synonyms  Source
benzotrifluorideChemIDplus
CF3PhChEBI
C6H5CF3ChEBI
PhCF3ChEBI
phenylfluoroformNIST Chemistry WebBook
trifluoromethylbenzeneChemIDplus
Registry NumbersSources
Reaxys:1906908Reaxys
Gmelin:3670Gmelin
CAS:98-08-8ChemIDplus
CAS:98-08-8NIST Chemistry WebBook
Citations