CHEBI:39425 - pentafluorobenzoyl chloride

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ChEBI Name pentafluorobenzoyl chloride
ChEBI ID CHEBI:39425
Definition The acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7ClF5O
Net Charge 0
Average Mass 230.51900
Monoisotopic Mass 229.95578
InChI InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
InChIKey MYHOHFDYWMPGJY-UHFFFAOYSA-N
SMILES Fc1c(F)c(F)c(C(Cl)=O)c(F)c1F
Roles Classification
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 pentafluorobenzoyl chloride (CHEBI:39425) has functional parent pentafluorobenzoic acid (CHEBI:46796)
pentafluorobenzoyl chloride (CHEBI:39425) has role chromatographic reagent (CHEBI:59745)
pentafluorobenzoyl chloride (CHEBI:39425) is a acyl chloride (CHEBI:36687)
pentafluorobenzoyl chloride (CHEBI:39425) is a perfluorinated compound (CHEBI:134091)
IUPAC Name
pentafluorobenzoyl chloride
Synonym Source
2,3,4,5,6-pentafluorobenzoyl chloride ChEBI
Registry Numbers Types Sources
2054397 Beilstein Registry Number Beilstein
2251-50-5 CAS Registry Number NIST Chemistry WebBook
2251-50-5 CAS Registry Number ChemIDplus
Last Modified
09 December 2016