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ChEBI
> Main
CHEBI:40750 - 4-trifluoromethylaniline
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ChEBI Ontology
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ChEBI Name
4-trifluoromethylaniline
ChEBI ID
CHEBI:40750
Definition
A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H6F3N
Net Charge
0
Average Mass
161.12440
Monoisotopic Mass
161.04523
InChI
InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
InChIKey
ODGIMMLDVSWADK-UHFFFAOYSA-N
SMILES
Nc1ccc(cc1)C(F)(F)F
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-trifluoromethylaniline (
CHEBI:40750
)
has role
metabolite (
CHEBI:25212
)
4-trifluoromethylaniline (
CHEBI:40750
)
is a
(trifluoromethyl)benzenes (
CHEBI:83565
)
4-trifluoromethylaniline (
CHEBI:40750
)
is a
substituted aniline (
CHEBI:48975
)
IUPAC Name
4-(trifluoromethyl)aniline
Synonym
Source
p
-(trifluoromethyl)aniline
ChEBI
Registry Numbers
Types
Sources
1564853
Reaxys Registry Number
Reaxys
455-14-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
22882828
PubMed citation
Europe PMC
Last Modified
03 November 2014