Pentafluorbenzolsulfonylchlorid

2,3,4,5,6-Pentafluorobenzenesulfonyl chloride

HCID 70026CAS 832-53-1

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey: UOJCTEGNHXRPKO-UHFFFAOYSA-N
Summenformel: C6ClF5O2S
Durchschnittliche Molmasse: 266,57 g/mol
Monoisotopische Masse: 265,92276902

Überblick

RN given from first source; RN not in Chemline 1/85

Namen und Bezeichner

Bevorzugter Name: 2,3,4,5,6-Pentafluorobenzenesulfonyl chloride
IUPAC: 2,3,4,5,6-pentafluorobenzenesulfonyl chloride
Lokaler Name: Pentafluorbenzolsulfonylchlorid
Englischer Name: Pentafluorobenzenesulfonyl chloride
Summenformel: C6ClF5O2S
Molmasse: 266.57

Namen und Synonyme

Pentafluorobenzenesulfonyl chloride832-53-12,3,4,5,6-pentafluorobenzenesulfonyl chlorideNSC-969982P6FR9SY79DTXSID50232213PFBSCRefChem:859802DTXCID50154704212-620-02,3,4,5,6-Pentafluorobenzene-1-sulfonyl chloridePentafluorobenzenesulphonyl chloride

Weitere Namen anzeigen

Pentafluoro-1-benzenesulfonyl ChlorideAC 1471176720_FLUKA103764_ALDRICHEINECS 212-620-0Pentafluorophenylsulfonyl chloridepentafluorobenzenesulonyl chloride

2,3,4,5,6-Pentafluorobenzenesulfonyl chorideBenzenesulfonyl chloride, pentafluoro-C6ClF5O2SMFCD00007427NSC 96998pentafluorobenzene-1-sulfonyl chlorideUNII-2P6FR9SY79NSC96998

Datenbank-Bezeichner

CAS: 832-53-1
PubChem CID: 70026
DTXSID: DTXSID50232213
UNII: 2P6FR9SY79
EC Number: 212-620-0
Nikkaji: J195.100I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 315

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Siedepunkt: 210 · 210-211 °C(lit.)
Dichte: 1.796 g/mL · 1.796 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.479(lit.)
Flammpunkt: 195 °F · 195 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.797 · 1.797
Wasserlöslichkeit: Soluble in water (reacts slowly).
BRN: 2142325 · 2142325
InChI: InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
InChIKey: UOJCTEGNHXRPKO-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=C(F)C(F)=C(F)C(F)=C1F
CAS Datenbank: 832 · 832-53-1(CAS DataBase Reference)

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 50 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

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

Sicherheitsdaten

F: 21
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34-37
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-24/25
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPentafluorobenzenesulfonyl chloride is used as derivatizing reagent for simultaneous determination of fluoxetine and p-trifluoromethylphenol, an O-dealkylated metabolite of fluoxetine in human liver microsomes. It is also used for electrophore labeling of small tyrosyl peptides for their analysis by gas chromatography with electron-capture detection. It is also employed as derivatizing reagent for amphetamine in determination of amphetamine in human plasma samples using gas chromatography with electron-capture detection.