HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzol-1,3-di(sulfonylchlorid)
BENZENE-1,3-DISULFONYL CHLORIDE · BENZENE-1,3-DISULFONYL DICHLORIDE · NSC 61429 · m-Benzenedisulfonyl chloride · 1,3-BENZENEDISULFONYL CHLORIDE · 3-Benzenedisulfonyl dichloride · 1,3-BENZENEDISULPHONYL CHLORIDE · 1,3-BENZENEDISULFONYL DICHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 585-47-7 |
|---|---|
| Summenformel | C6H4Cl2O4S2 |
| Durchschnittliche Molmasse | 275,1 g/mol |
| Monoisotopische Masse | 273,89280597 g/mol |
| SMILES | O=S(=O)(Cl)c1cccc(S(=O)(=O)Cl)c1 |
| InChIKey | ALIQZUMMPOYCIS-UHFFFAOYSA-N |
| PubChem CID | 96240 |
| EC No. | 209-556-0 |
| DTXSID | DTXSID3060407 |
| Lokaler Name | Benzol-1,3-di(sulfonylchlorid) |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 85 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 351 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 57-60 °C(lit.) |
| Siedepunkt | 145 °C / 1mmHg |
| Dichte | 1.6494 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Dichloromethane, DMSOSoluble in DMSO and methanol. Reacts with water. |
| Aggregatzustand | solid |
| Farbe | Off-White to Light Brown |
| BRN | 1118508 |
| InChI | InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H |
| InChIKey | ALIQZUMMPOYCIS-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=CC(S(Cl)(=O)=O)=C1 |
| CAS Datenbank | 585-47-7(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Benzenedisulfonyl dichloride (585-47-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (99.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (99.3%) |
| F | 3-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34-37-42/43 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,3-Benzenedisulfonyl chloride is used as a pharmaceutical intermediates. The compound is used to produce1,3-benzenedisulfonohydrazide.