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4-Amino-6-chlorbenzol-1,3-di(sulfonylchlorid)
synthesis-011 · synthesis-1-010 · Hydrochlorothiazide Impurity 14 · 5-Chloro-2,4-dichlorosulfonylaniline · 4-Amino-6-chloro-1,3-benzenedisulfonyl · 5-CHLOROANILINE-2,4-DISULFONYL CHLORIDE · 5-Chloroaniline-2,4-disulfonyl Dichloride · 4-AMINO-6CHLOROBENZENE 1,3-DISULFONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 671-89-6 |
|---|---|
| Summenformel | C6H4Cl3NO4S2 |
| Durchschnittliche Molmasse | 324,6 g/mol |
| Monoisotopische Masse | 322,864733 g/mol |
| SMILES | Nc1cc(Cl)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl |
| InChIKey | YIZXGHNDQUYDDF-UHFFFAOYSA-N |
| PubChem CID | 69593 |
| EC No. | 211-586-4 |
| DTXSID | DTXSID50217409 |
| Lokaler Name | 4-Amino-6-chlorbenzol-1,3-di(sulfonylchlorid) |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 111 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 451 |
| Schmelzpunkt | 130-132 °C |
| Siedepunkt | 474.2±45.0 °C(Predicted) |
| Dichte | 1.834±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Acetone (Slightly), Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly) |
| pKa (Säurekonstante) | -5.05±0.16(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Brown to Light Brown |
| Stabilität | Hygroscopic, Moisture Sensitive |
| InChI | InChI=1S/C6H4Cl3NO4S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2H,10H2 |
| InChIKey | YIZXGHNDQUYDDF-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=C(Cl)C=C(N)C(S(Cl)(=O)=O)=C1 |
| CAS Datenbank | 671-89-6 |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
Anwendungen & Verwendung
Verwenden
Chlorothiazide intermediate.