HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2795170Erstellt: 23. Oktober 2026
1,3-Benzothiazole-6-sulfonyl chloride
benzo[d]thiazole-6-sulfonyl chloride · BUTTPARK 121\04-40 · 6-Benzothiazolesulfonyl chloride · BENZOTHIAZOLE-6-SULPHONYL CHLORIDE · 1,3-Benzothiazole-6-sulfonyl chloride · 6-(Chlorosulphonyl)-1,3-benzothiazole · 1,3-Benzothiazole-6-sulphonyl chloride · 1,3-Benzothiazole-6-sulphonylchloride95%
https://huagongshe.com/de/chemical/2795170
Identifikatoren & physikalische Daten
| CAS No. | 181124-40-3 |
|---|
| Summenformel | C7H4ClNO2S2 |
|---|
| Durchschnittliche Molmasse | 233,7 g/mol |
|---|
| Monoisotopische Masse | 232,93719805 g/mol |
|---|
| SMILES | O=S(=O)(Cl)c1ccc2ncsc2c1 |
|---|
| InChIKey | XQOLJTWXFUSVOR-UHFFFAOYSA-N |
|---|
| PubChem CID | 2795170 |
|---|
| EC No. | 683-346-0 |
|---|
| DTXSID | DTXSID00383562 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|
| Polarare Oberfläche (TPSA) | 83,7 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 287 |
|---|
| Schmelzpunkt | 110-115°C |
|---|
| Siedepunkt | 377.0±15.0 °C(Predicted) |
|---|
| Dichte | 1.635±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Inert atmosphere,2-8°C |
|---|
| Löslichkeit | soluble in Acetone, Chloroform, Ethyl Acetate |
|---|
| pKa (Säurekonstante) | -2.25±0.10(Predicted) |
|---|
| Aggregatzustand | powder |
|---|
| Farbe | Faint to light yellow |
|---|
| InChI | InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H |
|---|
| InChIKey | XQOLJTWXFUSVOR-UHFFFAOYSA-N |
|---|
| SMILES | S1C2=CC(S(Cl)(=O)=O)=CC=C2N=C1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.DangerH314 (95.8%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Corr. 1B (95.8%) |
|---|
| UN-Transportnummer | UN1759 |
|---|
| Zollcode | 2934208090 |
|---|
| R-Sätze (R) | 20/21/22-29-34-36 |
|---|
| Gefahrensymbole | Xi,C |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 26-36/37/39-45 |
|---|
