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Pentafluorbenzolsulfonylchlorid
Pentafluoro-1-benzenesulfonyl Chloride · 2,3,4,5,6-PENTAFLUOROBENZENESULFONYL CHLORIDE · AC 14711 · NSC96998 · NSC 96998 · 76720_FLUKA · 103764_ALDRICH · EINECS 212-620-0
Identifikatoren & physikalische Daten
| CAS No. | 832-53-1 |
|---|---|
| Summenformel | C6ClF5O2S |
| Durchschnittliche Molmasse | 266,57 g/mol |
| Monoisotopische Masse | 265,92276902 g/mol |
| SMILES | O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F |
| InChIKey | UOJCTEGNHXRPKO-UHFFFAOYSA-N |
| PubChem CID | 70026 |
| EC No. | 212-620-0 |
| DTXSID | DTXSID50232213 |
| Lokaler Name | Pentafluorbenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 315 |
| SpringerMaterials Properties | Schoenflies notation |
| Siedepunkt | 210-211 °C(lit.) |
| Dichte | 1.796 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.479(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.797 |
| Löslichkeit | Soluble in water (reacts slowly). |
| BRN | 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 | 832-53-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Pentafluorobenzenesulfonyl 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.