HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 425758Erstellt: 27. Oktober 2026
2-(Ethylsulfanyl)benzoic acid
2-ethylsulfanylbenzoicaci · 2-(ethylthio)benzoic acid(SALTDATA: FREE)
https://huagongshe.com/de/chemical/425758
Identifikatoren & physikalische Daten
| CAS No. | 21101-79-1 |
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| Summenformel | C9H10O2S |
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| Durchschnittliche Molmasse | 182,24 g/mol |
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| Monoisotopische Masse | 182,04015073 g/mol |
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| SMILES | CCSc1ccccc1C(=O)O |
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| InChIKey | GLGKZKZNXSHACI-UHFFFAOYSA-N |
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| PubChem CID | 425758 |
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| EC No. | 973-288-7 |
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| DTXSID | DTXSID30330004 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 62,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 159 |
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| Schmelzpunkt | 130-131 °C |
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| Siedepunkt | 310.1±25.0 °C(Predicted) |
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| Dichte | 1.23±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.52±0.36(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Zollcode | 2930909899 |
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