CHEBI:39426 - perfluorobutyric acid

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ChEBI Name perfluorobutyric acid
ChEBI ID CHEBI:39426
Definition A monocarboxylic acid that is perfluorinated butyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4HF7O2
Net Charge 0
Average Mass 214.03840
Monoisotopic Mass 213.986
InChI InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
InChIKey YPJUNDFVDDCYIH-UHFFFAOYSA-N
SMILES OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): chromatographic reagent
A reagent used to improve selectivity in chromatographic analyses or separations, e.g. by formation of a derivative or by modification of the mobile phase.
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ChEBI Ontology
Outgoing perfluorobutyric acid (CHEBI:39426) has functional parent butyric acid (CHEBI:30772)
perfluorobutyric acid (CHEBI:39426) has role chromatographic reagent (CHEBI:59745)
perfluorobutyric acid (CHEBI:39426) has role environmental contaminant (CHEBI:78298)
perfluorobutyric acid (CHEBI:39426) has role xenobiotic (CHEBI:35703)
perfluorobutyric acid (CHEBI:39426) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name
heptafluorobutanoic acid
Synonyms Sources
Heptafluoro-1-butanoic acid ChemIDplus
Heptafluorobutyric acid ChemIDplus
Perfluorobutanoic acid ChemIDplus
Perfluoropropanecarboxylic acid ChemIDplus
Manual Xref Database
Heptafluorobutyric_acid Wikipedia
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Registry Numbers Types Sources
1426882 Reaxys Registry Number Reaxys
1426882 Beilstein Registry Number Beilstein
375-22-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24114467 PubMed citation Europe PMC
24756992 PubMed citation Europe PMC
Last Modified
09 December 2016
General Comment
2010-12-30 Perfluorobutyric acid is used as a mobile phase modifier to improve selectivity in the HPLC analysis of histone proteins.