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N-Acetylsulfanilylchlorid
4-ACETAMIDOBENZENESULFONYL CHLORIDE · ASC · NASC · Acetylsulfanilyl chloride · N-Acetylsulfanilyl c · N-ACETYLSULPHANILYL CHLORIDE · 4-ACETYLAMINO BENZENESULFONYL CHLORIDE · CARD5
Identifikatoren & physikalische Daten
| CAS No. | 121-60-8 |
|---|---|
| Summenformel | C8H8ClNO3S |
| Durchschnittliche Molmasse | 233,67 g/mol |
| Monoisotopische Masse | 232,9913418 g/mol |
| SMILES | CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 |
| InChIKey | GRDXCFKBQWDAJH-UHFFFAOYSA-N |
| PubChem CID | 8481 |
| ChEMBL | CHEMBL3185390 |
| EC No. | 204-485-1 |
| DTXSID | DTXSID8026981 |
| Lokaler Name | N-Acetylsulfanilylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 301 |
| Stoffklassen | Nitrogen Compounds -> Aminobenzenesulfonic Acids |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Geruch | SLIGHT ODOR OF ACETIC ACID |
| Color/Form | NEEDLES FROM BENZENEPRISMS FROM BENZENE-CHLOROFORMTHICK, LIGHT TAN PRISMS FROM BENZENELIGHT TAN TO BROWNISH POWDER OR FINE CRYSTALS |
| Löslichkeit | VERY SOL IN ETHER, ALCOHOLSOL IN HOT CHLOROFORMSOLUBLE IN HOT BENZENEAcetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)SLIGHTLY SOLUBLE |
| Schmelzpunkt | 149 °C142-145 °C (dec.)(lit.) |
| Physical Description | Dry PowderLight tan solid[Merck Index] Off-white powder[MSDSonline] |
| Other Experimental Properties | DECOMP IN WATER |
| Siedepunkt | 426.8±28.0 °C(Predicted) |
| Dichte | 1.2977 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6300 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 13.75±0.70(Predicted) |
| Aggregatzustand | Granular Crystalline Powder or Crystals |
| Farbe | White to cream-beige |
| Merck | 14,103 |
| BRN | 746676 |
| InChI | 1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11) |
| InChIKey | GRDXCFKBQWDAJH-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(cc1)S(Cl)(=O)=O |
| LogP (Verteilungskoeffizient) | 2.05 at 25℃ |
| CAS Datenbank | 121-60-8(CAS DataBase Reference) |
| NIST chemische Informationen | P-acetamidobenzene sulfonyl chloride(121-60-8) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 4-(acetylamino)- (121-60-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 207) of reports.DangerH314 (47.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 207 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenesulfonyl chloride, 4-(acetylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonyl chloride, 4-(acetylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 30-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/56984-Acetamidobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin, eye, and mucous membrane irritant[Merck Index] Causes weakness and ataxia in lethal dose studies[RTECS] Reacts with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitisExposure may cause convulsions[MSDSonline] |
| Hazard Classes and Categories | Skin Corr. 1B (47.8%) |
| Skin, Eye, and Respiratory Irritations | IRRITANT TO SKIN, EYES, & MUCOUS MEMBRANES OF NOSE & THROAT. |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Human Toxicity Excerpts | IRRITANT TO SKIN, EYES, AND MUCOUS MEMBRANES OF NOSE AND THROAT. |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29242995 |
| RTECS-Nr. | DB8837500 |
| R-Sätze (R) | 22-34-37 |
| Toxizität | LD50 oral in rat: > 3200mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-28B |
| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 121-60-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
Das 4-Acetaminobenzolsulfonsäurechlorid bildet farblose, wasserunlösliche Kristalle. Die Verbindung wird in der pharmazeutischen Industrie zur Herstellung verschiedener Chemotherapeutika verwendet.
Verwenden
N-Acetylsulfanilyl chloride is usedin the preparation of sulfanilamide and its derivatives which are intermediates to produce sulfa drugs. They are used in the prevention and treatment of bacterial infections, diabetes mellitus, edema, hypertension, and gout. It is also used as a Pharma raw material. N-Acetylsulfanilyl chloride widely used in the fields of dye, medicine, mainly used for preparation of Sulfanilamide, Sulfanilylureal, Sulfatolamide, Sulphathiourea , Sulfaguanidine and Sulfacetamide and etc.