HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74740Erstellt: 26. Oktober 2026
Toluol-α-sulfonylchlorid
PHENYLMETHANESULFONYL CHLORIDE · BENZYLSULFONYL CHLORIDE · PMS-CL · NSC 41894 · Benzylsulfochloride · OTAVA-BB BB7020430779 · BENZYLSULPHONYL CHLORIDE · BENZYL SULFONIC CHLORIDE
https://huagongshe.com/de/chemical/74740
Identifikatoren & physikalische Daten
| CAS No. | 1939-99-7 |
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| Summenformel | C7H7ClO2S |
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| Durchschnittliche Molmasse | 190,65 g/mol |
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| Monoisotopische Masse | 189,98552814 g/mol |
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| SMILES | O=S(=O)(Cl)Cc1ccccc1 |
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| InChIKey | OAHKWDDSKCRNFE-UHFFFAOYSA-N |
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| PubChem CID | 74740 |
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| EC No. | 217-717-1 |
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| DTXSID | DTXSID3062071 |
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| Lokaler Name | Toluol-α-sulfonylchlorid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 42,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 199 |
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| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Physical Description | Off-white crystalline solid[Alfa Aesar MSDS] |
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| Schmelzpunkt | 92-94 °C(lit.) |
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| Siedepunkt | 120 °C / 10mmHg |
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| Dichte | 1.3264 (estimate) |
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| Brechungsindex | 1.624-1.626 |
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| Lagerbedingungen | Inert atmosphere,2-8°C |
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| Löslichkeit | soluble in Toluenedecomposes |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Almost white |
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| BRN | 972806 |
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| InChI | 1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2 |
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| InChIKey | OAHKWDDSKCRNFE-UHFFFAOYSA-N |
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| SMILES | ClS(=O)(=O)Cc1ccccc1 |
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| CAS Datenbank | 1939-99-7(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzenemethanesulfonyl chloride(1939-99-7) |
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| EPA chemische Informationen | Benzenemethanesulfonyl chloride (1939-99-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Benzenemethanesulfonyl chloridePhenylmethanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | Reacts with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See p-Toluenesulfonyl chloride. |
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| Hazard Classes and Categories | Skin Corr. 1A (100%) |
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| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
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| F | 10-21 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3261 8/PG 2 |
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| Zollcode | 29049020 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C |
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| hazard_note | Corrosive |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Skin Corr. 1B |
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| Verpackungsgruppe | II |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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