HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 257513Erstellt: 29. Oktober 2026
4,4'-Sulfonylbis(2-methylphenol)
Topoisomerase IIα-IN-9 · 4,4'-Sulfonylbis(2-methylphenol) · Phenol, 4,4'-sulfonylbis[2-methyl- · 3,3'-DIMETHYL-4,4'-DIHYDROXYDIPHENYL SULFONE · 4,4'-Dihydroxy-3,3'-dimethyl[sulfonylbisbenzene]
https://huagongshe.com/de/chemical/257513
Identifikatoren & physikalische Daten
| CAS No. | 16346-97-7 |
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| Summenformel | C14H14O4S |
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| Durchschnittliche Molmasse | 278,33 g/mol |
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| Monoisotopische Masse | 278,0612801 g/mol |
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| SMILES | Cc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O |
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| InChIKey | XTEGBRKTHOUETR-UHFFFAOYSA-N |
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| PubChem CID | 257513 |
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| EC No. | 629-429-7 |
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| DTXSID | DTXSID50292796 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 83 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 368 |
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| Schmelzpunkt | 273-276 °C(lit.) |
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| Siedepunkt | 518.8±50.0 °C(Predicted) |
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| Dichte | 1.343±0.06 g/cm3(Predicted) |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 7.25±0.20(Predicted) |
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| Farbe | Pale Orange to Pale Red |
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| InChI | 1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3 |
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| InChIKey | XTEGBRKTHOUETR-UHFFFAOYSA-N |
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| SMILES | Cc1cc(ccc1O)S(=O)(=O)c2ccc(O)c(C)c2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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