HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21544516Erstellt: 27. Oktober 2026
3-Methanesulfonyl-5-(trifluoromethyl)benzoic acid
3-methanesulfonyl-5-(trifluoromethyl)benzoic acid · 3-(Methylsulfonyl)-5-(trifluoromethyl)benzoic acid · Benzoic acid, 3-(methylsulfonyl)-5-(trifluoromethyl)-
https://huagongshe.com/de/chemical/21544516
Identifikatoren & physikalische Daten
| CAS No. | 53985-43-6 |
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| Summenformel | C9H7F3O4S |
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| Durchschnittliche Molmasse | 268,21 g/mol |
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| SMILES | CS(=O)(=O)c1cc(C(=O)O)cc(C(F)(F)F)c1 |
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| InChIKey | NXGFECHNVOBBHS-UHFFFAOYSA-N |
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| PubChem CID | 21544516 |
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| EC No. | 862-524-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 79,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 395 |
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| Siedepunkt | 436.6±45.0 °C(Predicted) |
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| Dichte | 1.513±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.17±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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