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4-Amino-6-chlorbenzol-1,3-disulfonamid
CHLORAMINOPHENAMIDE · 4-AMINO-6-CHLORO-1,3-BENZENEDISULFONAMIDE · Benzothiadiazine Related CoMpound A · Hydrochlorothiazide EP Impurity B · 4-amino-6-chloro-1,3-benzenedisulphonamide · Salmid · Idorese · NSC 93772
Identifikatoren & physikalische Daten
| CAS No. | 121-30-2 |
|---|---|
| Summenformel | C6H8ClN3O4S2 |
| Durchschnittliche Molmasse | 285,7 g/mol |
| Monoisotopische Masse | 284,9644758 g/mol |
| SMILES | Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O |
| InChIKey | IHJCXVZDYSXXFT-UHFFFAOYSA-N |
| PubChem CID | 67136 |
| ChEMBL | CHEMBL266240 |
| ChEBI | CHEBI:3602 |
| EC No. | 204-463-1 |
| DTXSID | DTXSID1059521 |
| Lokaler Name | 4-Amino-6-chlorbenzol-1,3-disulfonamid |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 163 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 451 |
| Arzneimittel | Pharmaceuticals -> Metabolite of Hydrochlorthiazide |
| LogP (Verteilungskoeffizient) | -0.56 |
| Schmelzpunkt | 257-261 °C(lit.) |
| Siedepunkt | 614.4±65.0 °C(Predicted) |
| Dichte | 1.584 (estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.24±0.60(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| Merck | 14,2076 |
| BRN | 1083877 |
| InChI | InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14) |
| InChIKey | IHJCXVZDYSXXFT-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=C(Cl)C=C(N)C(S(N)(=O)=O)=C1 |
| CAS Datenbank | 121-30-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Benzenedisulfonamide, 4-amino-6-chloro- (121-30-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (20 of 30) of all reports.WarningH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 30 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Benzenedisulfonamide, 4-amino-6-chloro-REACH registered substance: 4-amino-6-chlorobenzene-1,3-disulphonamide (EC: 204-463-1)1,3-Benzenedisulfonamide, 4-amino-6-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29350090 |
| R-Sätze (R) | 23/24-33-20/21 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 28-36/37-36/37/39-26-22 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-Amino-6-chlorobenzene-1,3-disulfonamide is obtained by treating the chloride with ammonia in tert-butanol and concentrating the solution by evaporation; the yield is 80 %. Condensation with formic acid gives 6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide, an important diuretic.
Verwenden
Diuretic.