HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methoxy-m-toluenesulfonyl chloride
ASISCHEM D48925 · 6-Methyl-m-toluenesulfonyl chloride · 6-METHOXY-M-TOLUENESULFONYL CHLORIDE · 6-METHOXY-3-TOLUENESULPHONYL CHLORIDE · 2-METHOXY-5-METHYL-BENZENESULFONYL CHLORIDE · Benzenesulfonyl chloride, 2-methoxy-5-methyl- · Benzenesulfonyl chloride, 2-methoxy-5-methyl- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 88040-86-2 |
|---|---|
| Summenformel | C8H9ClO3S |
| Durchschnittliche Molmasse | 220,67 g/mol |
| Monoisotopische Masse | 219,99609283 g/mol |
| SMILES | COc1ccc(C)cc1S(=O)(=O)Cl |
| InChIKey | BJYNYQGJTZULJI-UHFFFAOYSA-N |
| PubChem CID | 145149 |
| EC No. | 674-122-3 |
| DTXSID | DTXSID80236764 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 257 |
| Schmelzpunkt | 82 °C |
| Siedepunkt | 329.6±35.0 °C(Predicted) |
| Dichte | 1.326±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep Cold |
| CAS Datenbank | 88040-86-2(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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| UN-Transportnummer | 3261 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | MOISTURE SENSITIVE, KEEP COLD, CORROSIVE |
Anwendungen & Verwendung
Verwenden
2-Methoxy-5-methylbenzene-1-sulfonyl Chloride is used in preparation of benzenesulfonamide derivatives and analogs as ATP citrate lyase inhibitors.