HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzothiophene-3-sulfonyl chloride
benzo[b]thiophene-3-sulfonyl chloride · BUTTPARK 83\07-01 · BENZOTHIOPHENE-3-SULFONYL CHLORIDE · 1-Benzothiophene-3-sulfonyl chloride · 3-(Chlorosulphonyl)-1-benzothiophene · 1-BENZOTHIOPHENE-3-SULPHONYL CHLORIDE · Benzo[b]thiophene-3-sulphonyl chloride · 1-Benzothiophene-3-sulfonyl chloride ,97%
Identifikatoren & physikalische Daten
| CAS No. | 18494-87-6 |
|---|---|
| Summenformel | C8H5ClO2S2 |
| Durchschnittliche Molmasse | 232,7 g/mol |
| Monoisotopische Masse | 231,94194908 g/mol |
| SMILES | O=S(=O)(Cl)c1csc2ccccc12 |
| InChIKey | WYYRQMZTUXFUTC-UHFFFAOYSA-N |
| PubChem CID | 2776340 |
| EC No. | 836-246-8 |
| DTXSID | DTXSID90380000 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 283 |
| Schmelzpunkt | 86 °C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | crystalline solid |
| Farbe | Grey-brown |
| Löslichkeit | Sparingly soluble in water (0.091 g/L at 25°C). |
| InChI | 1S/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H |
| InChIKey | WYYRQMZTUXFUTC-UHFFFAOYSA-N |
| SMILES | ClS(=O)(=O)c1csc2ccccc12 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (33.3%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 34-36 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8Eye Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Benzo[b]thiophene-3-sulfonyl chloride is used as a pharmaceutical intermediate.