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2,4,6-Triisopropylbenzolsulfonylchlorid
TPSCL · TPS · 2,4,6-Triisopropylphenylsulfonyl chloride · 2,4,6-Triisopropylbenzene-1-sulfonyl chloride · Trisyl chloride · 2,4,6-tris(propan-2-yl)benzene-1-sulfonyl chloride · 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride · TIMTEC-BB SBB001244
Identifikatoren & physikalische Daten
| CAS No. | 6553-96-4 |
|---|---|
| Summenformel | C15H23ClO2S |
| Durchschnittliche Molmasse | 302,9 g/mol |
| Monoisotopische Masse | 302,11072866 g/mol |
| SMILES | CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1 |
| InChIKey | JAPYIBBSTJFDAK-UHFFFAOYSA-N |
| PubChem CID | 81042 |
| EC No. | 229-479-6 |
| DTXSID | DTXSID30215827 |
| Lokaler Name | 2,4,6-Triisopropylbenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 363 |
| Schmelzpunkt | 92-94 °C (lit.) |
| Siedepunkt | 378C |
| Dichte | 1.1012 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | ethanol: 50 mg/mL, cleardecomposes |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to slightly beige |
| BRN | 1218575 |
| InChI | InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3 |
| InChIKey | JAPYIBBSTJFDAK-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=C(C(C)C)C=C(C(C)C)C=C1C(C)C |
| CAS Datenbank | 6553-96-4(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 51 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/317632,4,6-Triisopropylbenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049020 |
| R-Sätze (R) | 34-29 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4,6-Triisopropylbenzenesulfonyl chloride is used for the synthesis of glycerophospholipids as a condensing agent and in the analysis of phosphonolipids in egg yolk by HPLC/MS technique. It acts as a coupling reagent for the synthesis of oligonucleotides and as sulfonates of pyrimidine nucleosides. It also serves as a condensing agent in the synthesis of hydrogen-phosphonate diesters.