HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,5-Dichlor-2-hydroxybenzolsulfonylchlorid
3378-88-3 · 2,4-Dichloro-6-(chlorosulfonyl)phenol · 2,4-DICHLOROPHENOL-6-SULFONYL CHLORIDE · 2,4-DICHLOROPHENOL-6-SULPHONYL CHLORIDE · 2 4-DICHLOROPHENOL-6-SULFONYLCHLORIDE 99% · 3,5-dichloro-2-hydroxy-benzenesulfonylchlorid · 3,5-DICHLORO-2-HYDROXYBENZENESULFONYL CHLORIDE · 3,5-DICHLORO-2-HYDROXYBENZENESULPHONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 23378-88-3 |
|---|---|
| Summenformel | C6H3Cl3O3S |
| Durchschnittliche Molmasse | 261,5 g/mol |
| Monoisotopische Masse | 259,886848 g/mol |
| SMILES | O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1O |
| InChIKey | KXFQRJNVGBIDHA-UHFFFAOYSA-N |
| PubChem CID | 90078 |
| EC No. | 245-619-9 |
| DTXSID | DTXSID80177926 |
| Lokaler Name | 3,5-Dichlor-2-hydroxybenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 273 |
| Schmelzpunkt | 80-83 °C (lit.) |
| Siedepunkt | 359.0±42.0 °C(Predicted) |
| Dichte | 1.652 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.03±0.50(Predicted) |
| Farbe | Light beige to light brown |
| Löslichkeit | Hydrolyzes in water. |
| BRN | 2940993 |
| InChI | 1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H |
| InChIKey | KXFQRJNVGBIDHA-UHFFFAOYSA-N |
| SMILES | Oc1c(Cl)cc(Cl)cc1S(Cl)(=O)=O |
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 44 reports by companies from 3 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29089990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-Dichloro-2-hydroxybenzenesulfonyl chloride is used in the synthesis of (1R,2R)-(+)-1,2-(3,3,5,5-tetrachloro-2,2-dihydroxydibenzenesulfonamido)-1,2-diphenylethane1 and (1R,2R)-(+)- 1,2-(3,3,5,5-tetrachloro-2,2-dihydroxydibenzenesulfonamido)cyclohexane. It was used as chromogenic system in one-step kinetic method for the determination of 5-nucleotidase.