Pentafluorbenzoylchlorid

Pentafluorobenzoyl chloride

HCID 75256CAS 2251-50-5
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Grundinformationen

Standard-SMILES
O=C(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey
MYHOHFDYWMPGJY-UHFFFAOYSA-N
Summenformel
C7ClF5O
Durchschnittliche Molmasse
230,52 g/mol
Monoisotopische Masse
229,9557834

Überblick

Pentafluorobenzoyl chloride is 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. It has a role as a chromatographic reagent. It is a perfluorinated compound and an acyl chloride. It is functionally related to a pentafluorobenzoic acid.

Namen und Bezeichner

Bevorzugter Name
Pentafluorobenzoyl chloride
IUPAC
2,3,4,5,6-pentafluorobenzoyl chloride
Lokaler Name
Pentafluorbenzoylchlorid
Englischer Name
Pentafluorobenzoyl chloride
Summenformel
C7ClF5O
Molmasse
230.52

Namen und Synonyme

Pentafluorobenzoyl chloride2251-50-52,3,4,5,6-Pentafluorobenzoyl chloride4RXU8P4SDSNSC-97002CHEBI:39425DTXSID90177033RefChem:171363DTXCID0099524218-842-4pentafluorobenzoylchloridePerfluorobenzoyl chloride
Weitere Namen anzeigen
SKL1300Pentafluorobenzoyl cpentaflurobenzyl cyanidePentafluorobenzoylchloride99%PentafluorobenzoylChloride>
Benzoyl chloride, pentafluoro-C7ClF5OMFCD00000657pentafluorobenzoychlorideNSC97002EINECS 218-842-4NSC 97002UNII-4RXU8P4SDS

Datenbank-Bezeichner

CAS
2251-50-5
PubChem CID
75256
DTXSID
DTXSID90177033
ChEBI
CHEBI:39425
UNII
4RXU8P4SDS
EC Number
218-842-4
Nikkaji
J106.089I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,9
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
1
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Siedepunkt
158 · 158-159 °C(lit.)
Dichte
1.601 g/mL · 1.601 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.453(lit.)
Flammpunkt
None
storage temp.
30 °C · Store below +30°C.
Löslichkeit
soluble in Chloroform

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F
10-19-21
wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29163900
risk_code
14-34
hazard_code
C

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungPentafluorobenzoyl chloride is 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. It has a role as a chromatographic reagent. It is an acyl chloride and a perfluorinated compound. It derives from a pentafluorobenzoic acid.2,3,4,5,6-Pentafluorobenzoyl chloride was used for derivatization of 5-androstenediol, testosterone, estradiol , dihydrotestosterone and estrone in a study to determine their serum levels. 2,3,4,5,6-Pentafluorobenzoyl chloride was used to derivatize dimethylamine(DMA) in study to develop a rapid and accurate GC–MS method for determination of DMA in human urine. 2,3,4,5,6-Pentafluorobenzoyl chloride was used in a study to detect the presence of Enterobacter cloacae in cultures of Leuconostoc mesenteroide by gas chromatography/mass spectrometry.

VerwendenPentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.

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