HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Dichlor-5-sulfamoylbenzoesure
LASAMIDE · Lassamide · 2,4-Dichlor-5-sulfamoylbenzoesure · 2,4-Dichloro-5-sulphamoylbenzoic Ac · Lasamide(2,4-Dichloro-5-Sulfamoyl Benzoic Acid) · M 12325 · TIMTEC-BB SBB001061 · Dichlorosulfonamide
Identifikatoren & physikalische Daten
| CAS No. | 2736-23-4 |
|---|---|
| Summenformel | C7H5Cl2NO4S |
| Durchschnittliche Molmasse | 270,09 g/mol |
| Monoisotopische Masse | 268,931634 g/mol |
| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl |
| InChIKey | ZSHHRBYVHTVRFK-UHFFFAOYSA-N |
| PubChem CID | 17655 |
| ChEMBL | CHEMBL120886 |
| EC No. | 220-358-3 |
| DTXSID | DTXSID90181791 |
| Lokaler Name | 2,4-Dichlor-5-sulfamoylbenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 106 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 352 |
| Stoffklassen | Other Classes -> Benzenesulfonic Acid Derivatives |
| Physical Description | Powder[MSDSonline] |
| Schmelzpunkt | 230-232 °C (dec.)(lit.) |
| Siedepunkt | 503.8±60.0 °C(Predicted) |
| Dichte | 1.5426 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)insoluble |
| pKa (Säurekonstante) | 2.08±0.25(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Hauptanwendungen | pharmaceutical small molecule |
| InChI | InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) |
| InChIKey | ZSHHRBYVHTVRFK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1Cl |
| CAS Datenbank | 2736-23-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 2,4-dichloro-5-sulphamoylbenzoic acid (EC: 220-358-3) |
| Gefahrenübersicht | Exposure occurs during the handling, drying and packaging of lasamide at production plants in the Czech Republic, China, and IndiaNonspecific bronchoconstriction tests were positive in 3 workers with occupational rhinitis and asthma[Reference #1] A skin, eye, and respiratory tract irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Unerwünschte Wirkungen | Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents. |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29350090 |
| RTECS-Nr. | DG8100000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | mouse,LD50,intraperitoneal,15gm/kg (15000mg/kg),Pharmaceutical Chemistry Journal Vol. 19, Pg. 697, 1985. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Die 2,4-Dichlor-5-sulfamylbenzoesäure bildet farblose bis hellbraune, wasserunlösliche Kristalle. Die Verbindung wird zur Herstellung des Diuretikums Furosemid verwendet.
Verwenden
2,4-Dichloro-5-sulfamoylbenzoic Acid is a chlorinated sulfamoylbenzoic acid with diuretic acid.