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3,4-Dichlorbenzolsulfonylchlorid
3,4-DICHLOROBENZENES · 3,4-Dichlorophenylsulfonyl chloride · 3,4-dichloro-benzenesulfonylchlorid · 3,4-DICHLOROBENZENESULFONYL CHLORIDE · 3,4-DICHLOROBENZENESULPHONYL CHLORIDE · 3,4-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 3,4-dichloro- · 3,4-dichlorobenzene-1-sulfonyl chloride · 3,4-Dichlorobenzenesulfonyl chloride,98%
Identifikatoren & physikalische Daten
| CAS No. | 98-31-7 |
|---|---|
| Summenformel | C6H3Cl3O2S |
| Durchschnittliche Molmasse | 245,5 g/mol |
| Monoisotopische Masse | 243,89193338 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1 |
| InChIKey | NYIBPWGZGSXURD-UHFFFAOYSA-N |
| PubChem CID | 7383 |
| EC No. | 202-656-5 |
| DTXSID | DTXSID5059165 |
| Lokaler Name | 3,4-Dichlorbenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 246 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 20-22°C |
| Siedepunkt | 253 °C(lit.) |
| Dichte | 1.572 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.589(lit.) |
| Flammpunkt | 135 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Almost white or Almost colorless |
| BRN | 1956417 |
| InChI | 1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H |
| InChIKey | NYIBPWGZGSXURD-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1Cl)S(Cl)(=O)=O |
| CAS Datenbank | 98-31-7(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 3,4-dichloro- (98-31-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (83.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (83.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
3,4-Dichlorobenzenesulfonyl Chloride, fp 22.4℃, is manufactured from o-dichlorobenzene and chlorosulfuric acid; used as an inexpensive acylating agent.
Verwenden
3,4-Dichloro-benzenesulfonyl Chloride is a useful reagent for organic synthesis.