1-Butanesulfonyl chloride
Butane-1-sulfonyl chloride · 1-ButanesuL · Butylsulfonyl · Butylsulfonylchloride · BUTANESULFONYLCHLORIDE · Butylsulfonyl chloride · Butanesulphonyl chloride · 1-Butylsulfonyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 2386-60-9 |
|---|---|
| Summenformel | C4H9ClO2S |
| Durchschnittliche Molmasse | 156,63 g/mol |
| Monoisotopische Masse | 156,00117821 g/mol |
| SMILES | CCCCS(=O)(=O)Cl |
| InChIKey | WEDIIKBPDQQQJU-UHFFFAOYSA-N |
| PubChem CID | 75430 |
| ChEMBL | CHEMBL3184302 |
| EC No. | 219-204-8 |
| DTXSID | DTXSID3044883 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 133 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.5 [mmHg]0.5 mm Hg ( 20 °C) |
| Physical Description | Colorless, light yellow, or light orange liquid[Acros Organics MSDS] |
| Schmelzpunkt | -29°C |
| Siedepunkt | 80-81 °C/9 mmHg (lit.) |
| Dichte | 1.208 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.454(lit.) |
| Flammpunkt | 175 °F |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow or light orange |
| Löslichkeit | DECOMPOSES |
| BRN | 1748742 |
| InChI | 1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3 |
| InChIKey | WEDIIKBPDQQQJU-UHFFFAOYSA-N |
| SMILES | CCCCS(Cl)(=O)=O |
| CAS Datenbank | 2386-60-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Butanesulfonyl chloride(2386-60-9) |
| EPA chemische Informationen | 1-Butanesulfonyl chloride (2386-60-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (43.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) > 100 mg/kg[RTECS] Reacts with water evolving toxic gasCauses burns and lachrymation[Acros Organics MSDS] See Ethanesulfonylchloride, 2-chloro-. |
| Hazard Classes and Categories | Acute Tox. 4 (43.2%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29049090 |
| RTECS-Nr. | EK5950000 |
| R-Sätze (R) | 34-36/37 |
| Toxizität | mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Nature. Vol. 174, Pg. 737, 1954. |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
1-Butanesulfonyl chloride is an antimicrobial agent that inhibits the production of inflammatory substances. It has been shown to inhibit acetylcholinesterase activity and the growth of cancer cells in vitro. 1-Butanesulfonyl chloride is a cross-linking agent that can be used to produce amides, which are used as pharmaceutical preparations for treating inflammatory diseases.
Verwenden
1-Butanesulfonyl chloride has been used in the preparation of:ethyl 2-(1-butanesulfonamido)pent-4-yn-l-oate1-butanesulfonamid-N,N′-1,2-ethanediylbis1-butanesulfonamide-N,N′-1,3-propanediylbis