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3-Chloro-2-fluorobenzenesulfonyl Chloride
BUTTPARK 89\07-35 · 3-CHLORO-2-FLUOROBEN · 3-CHLORO-2-FLUOROBENZENSULPHONYL · 3-CHLORO-2-FLUOROBENZENSULFONYL CHLORIDE · 3-Chloro-2-fluorobenzenesulfonyl chloride · 3-CHLORO-2-FLUOROBENZENSULPHONYL CHLORIDE · 3-CHLORO-2-FLUOROBENZENESULPHONYL CHLORIDE · Benzenesulfonyl chloride, 3-chloro-2-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 351003-48-0 |
|---|---|
| Summenformel | C6H3Cl2FO2S |
| Durchschnittliche Molmasse | 229,06 g/mol |
| Monoisotopische Masse | 227,92148392 g/mol |
| SMILES | O=S(=O)(Cl)c1cccc(Cl)c1F |
| InChIKey | LIRQNYQIFFLGIE-UHFFFAOYSA-N |
| PubChem CID | 2778321 |
| EC No. | 624-200-8 |
| DTXSID | DTXSID90380863 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 249 |
| Siedepunkt | 287℃ |
| Dichte | 1.584 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5540(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Löslichkeit | Hydrolyzes in water. |
| InChI | 1S/C6H3Cl2FO2S/c7-4-2-1-3-5(6(4)9)12(8,10)11/h1-3H |
| InChIKey | LIRQNYQIFFLGIE-UHFFFAOYSA-N |
| SMILES | Fc1c(Cl)cccc1S(Cl)(=O)=O |
| CAS Datenbank | 351003-48-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
It is employed as a pharmaceutical intermediate.