HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736733Erstellt: 27. Oktober 2026
2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
Tenoxicam Impurity 2 · AKOS 206-07 · BUTTPARK 27\06-40 · RARECHEM AM UC 0124 · Methyl 3-chlorosulfo · Lornoxicam Impurity G · 2-(Methoxycarbonyl)-3-thiophenesulf · METHYLCHLOROSULFONYLTHIOPHENECARBOXYLATE
https://huagongshe.com/de/chemical/2736733
Identifikatoren & physikalische Daten
| CAS No. | 59337-92-7 |
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| Summenformel | C6H5ClO4S2 |
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| Durchschnittliche Molmasse | 240,7 g/mol |
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| Monoisotopische Masse | 239,9317787 g/mol |
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| SMILES | COC(=O)c1sccc1S(=O)(=O)Cl |
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| InChIKey | PJVJBDAUWILEOG-UHFFFAOYSA-N |
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| PubChem CID | 2736733 |
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| EC No. | 627-732-9 |
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| DTXSID | DTXSID90886355 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 97,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 294 |
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| Schmelzpunkt | 61-64 °C(lit.) |
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| Siedepunkt | 364.8±27.0 °C(Predicted) |
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| Dichte | 1.568±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | soluble in Toluene |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to brown |
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| Stabilität | Moisture Sensitive |
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| InChI | 1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3 |
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| InChIKey | PJVJBDAUWILEOG-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1sccc1S(Cl)(=O)=O |
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| CAS Datenbank | 59337-92-7(CAS DataBase Reference) |
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| EPA chemische Informationen | 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (59337-92-7) |
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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 45 reports by companies from 5 notifications to the ECHA C&L Inventory.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. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| Hazard Classes and Categories | Skin Corr. 1 (100%) |
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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 3 |
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| Zollcode | 29349990 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C,Xi |
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| hazard_note | Corrosive |
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| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
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| Gefahrenklasse | IRRITANTSkin Corr. 1B |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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