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1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl chloride · NONAFLUOROBUTANESULFONYL CHLORIDE · NSC 292150 · Perfluorobutylsulfonyl chloride · Perfluorobutyl xanthyl chloride · Perfluorobutanesulfonyl chloride · PERFLUOROBUTANESULPHONYL CHLORIDE · PERFLUORO-1-BUTANESULFONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 2991-84-6 |
|---|---|
| Summenformel | C4ClF9O2S |
| Durchschnittliche Molmasse | 318,55 g/mol |
| Monoisotopische Masse | 317,9163819 g/mol |
| SMILES | O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | IRFCLLARAUQTNK-UHFFFAOYSA-N |
| PubChem CID | 324955 |
| EC No. | 626-978-4 |
| DTXSID | DTXSID80315129 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 390 |
| PFAS | PFAS -> Other/unspecifiedPFAS -> OECD Category |
| Siedepunkt | 100.5-103.5℃ |
| Dichte | 1.807±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C, stored under nitrogen, away from moisture |
| Aggregatzustand | liquid |
| Farbe | Clear, colourless |
| InChI | InChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)2(8,9)1(6,7)3(10,11)12 |
| InChIKey | IRFCLLARAUQTNK-UHFFFAOYSA-N |
| SMILES | C(F)(F)(S(Cl)(=O)=O)C(F)(F)C(F)(F)C(F)(F)F |
| EPA chemische Informationen | Perfluoro-1-butanesulfonyl chloride (2991-84-6) |
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 45 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 2904990090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Nonafluoro-1-butanesulfonyl chloride is a raw chemical that can be used as a reagent for organic synthesis or fluorescent labelling of nucleophilic reagents.