Identifikatoren & physikalische Daten
| CAS No. | 1506806-87-6 |
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| Summenformel | C6H5F3O4 |
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| Durchschnittliche Molmasse | 198,1 g/mol |
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| Monoisotopische Masse | 198,01399312 g/mol |
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| SMILES | O=C(O)C1C(C(=O)O)C1C(F)(F)F |
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| InChIKey | JVCIWCGGIJCSHA-UHFFFAOYSA-N |
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| PubChem CID | 83671213 |
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| EC No. | 980-783-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 239 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 | Skin Irrit. 2 (100%) |
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