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> Main
CHEBI:36810 - (trifluoromethyl)benzene
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ChEBI Name
(trifluoromethyl)benzene
ChEBI ID
CHEBI:36810
Definition
A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H5F3
Net Charge
0
Average Mass
146.10980
Monoisotopic Mass
146.03433
InChI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey
GETTZEONDQJALK-UHFFFAOYSA-N
SMILES
FC(F)(F)c1ccccc1
Roles Classification
Chemical Role
(s):
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
solvent
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
Application
(s):
solvent
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(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
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
Sources
α,α,α-trifluorotoluene
NIST Chemistry WebBook
benzotrifluoride
ChemIDplus
C
6
H
5
CF
3
ChEBI
CF
3
Ph
ChEBI
ω-trifluorotoluene
NIST Chemistry WebBook
PhCF
3
ChEBI
phenylfluoroform
NIST Chemistry WebBook
trifluoromethylbenzene
ChemIDplus
Registry Numbers
Types
Sources
1906908
Reaxys Registry Number
Reaxys
3670
Gmelin Registry Number
Gmelin
98-08-8
CAS Registry Number
NIST Chemistry WebBook
98-08-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11671431
PubMed citation
Europe PMC
20958547
PubMed citation
Europe PMC
24267073
PubMed citation
Europe PMC
24669762
PubMed citation
Europe PMC
Last Modified
07 August 2024