Identifikatoren & physikalische Daten
| CAS No. | 2889-61-4 |
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| Summenformel | C6H6O2S |
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| Durchschnittliche Molmasse | 142,18 g/mol |
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| SMILES | Oc1ccc(O)c(S)c1 |
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| InChIKey | ZFQJFYYGUOXGRF-UHFFFAOYSA-N |
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| PubChem CID | 2736167 |
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| EC No. | 810-460-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 41,5 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 97,1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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