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Toluol-2-sulfonylchlorid
2-METHYLBENZENESULFONYL CHLORIDE · o-Toluenesulfochloride · o-tosylchloride · o-Tosyl chloride · Paroxetine Impurity 30 · o-tolylsulfonylchloride · containsca23%isomer)75+% · 2-TOLUENESULFONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 133-59-5 |
|---|---|
| Summenformel | C7H7ClO2S |
| Durchschnittliche Molmasse | 190,65 g/mol |
| Monoisotopische Masse | 189,9855283 g/mol |
| SMILES | Cc1ccccc1S(=O)(=O)Cl |
| InChIKey | HDECRAPHCDXMIJ-UHFFFAOYSA-N |
| PubChem CID | 8623 |
| EC No. | 205-113-0 |
| DTXSID | DTXSID7051682 |
| Lokaler Name | Toluol-2-sulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 217 |
| Dichte | 1.3383 AT 20 °C/4 °C1.320 g/mL at 25 °C(lit.) |
| Color/Form | OILY LIQUID |
| Löslichkeit | INSOL IN WATERSOL IN HOT ALCOHOL, BENZENE, ETHERAcetonitrile (Slightly), Chloroform(Slightly)Soluble in hot alcohol, ether and benzene. Reacts with water. |
| Siedepunkt | 154 °C AT 36 MM HG254 °C(lit.) |
| Schmelzpunkt | 10.2 °C10°C |
| Brechungsindex | SADTLER REF NUMBER: 10657 (IR, PRISM)INDEX OF REFRACTION: 1.5565 AT 20 °C/Dn20/D >1.5580(lit.) |
| Physical Description | Liquid[HSDB] Colorless or yellow liquid[MSDSonline] |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store under inert gas |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| BRN | 973180 |
| InChI | InChI=1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3 |
| InChIKey | HDECRAPHCDXMIJ-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=CC=C1C |
| CAS Datenbank | 133-59-5(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 2-methyl- (133-59-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (76.9%): Causes serious eye damage [Danger Serious eye damage/eye 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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | Reacts with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Skin Corr. 1C (100%)Eye Dam. 1 (76.9%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 2904100090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 133-59-5(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
o-Toluenesulfonyl chloride is used in organic synthesis and saccharin production. It is also used as pharmaceutical intermediate.