HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Fluoro-2-methylbenzenesulphonyl chloride
2-(Chlorosulphonyl)-4-fluorotoluene · 5-FLUORO-O-TOLUENESULFONYL CHLORIDE · 5-Fluoro-o-toluenesulphonyl chloride · -FLUORO-2-METHYLBENZENESULFONYL CHLORIDE · 5-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE · 5-FLUORO-2-METHYLBENZENESULPHONYL CHLORIDE · 2-methyl-5-fluorobenzene sulphonyl chloride · 5-FLUORO-2-METHYLBENZENE-1-SULFONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 445-05-6 |
|---|---|
| Summenformel | C7H6ClFO2S |
| Durchschnittliche Molmasse | 208,64 g/mol |
| Monoisotopische Masse | 207,97610633 g/mol |
| SMILES | Cc1ccc(F)cc1S(=O)(=O)Cl |
| InChIKey | NPEWBMJAUUSBLE-UHFFFAOYSA-N |
| PubChem CID | 136286 |
| EC No. | 626-483-3 |
| DTXSID | DTXSID80196197 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 247 |
| Schmelzpunkt | 123-125 °C |
| Siedepunkt | 62 °C (0.2 mmHg) |
| Dichte | 1.423 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5355(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| BRN | 2643541 |
| InChI | 1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3 |
| InChIKey | NPEWBMJAUUSBLE-UHFFFAOYSA-N |
| SMILES | Cc1ccc(F)cc1S(Cl)(=O)=O |
| CAS Datenbank | 445-05-6(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 46 reports by companies from 5 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) | 34-29 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 23-26-36/37/39-45-22 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
5-Fluoro-2-methylbenzenesulfonyl chloride may be used to synthesize 1-(aminomethyl)-5-fluoro-N,N-dimethyl-benzenesulfonamide.