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CHEBI:39425 - pentafluorobenzoyl chloride

ChEBI IDCHEBI:39425
ChEBI Namepentafluorobenzoyl chloride
Stars
DefinitionThe acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography.
Last Modified9 December 2016
Submitterhcourrier
DownloadsMolfile
FormulaC7ClF5O
Net Charge0
Average Mass230.519
Monoisotopic Mass229.95578
SMILESO=C(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
InChIKeyMYHOHFDYWMPGJY-UHFFFAOYSA-N
Roles Classification
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
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 chlorideChEBI
Registry NumbersSources
Beilstein:2054397Beilstein
CAS:2251-50-5ChemIDplus
CAS:2251-50-5NIST Chemistry WebBook