Identifikatoren & physikalische Daten
| CAS No. | 152899-11-1 |
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| Summenformel | C9H7F3O3 |
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| Durchschnittliche Molmasse | 220,14 g/mol |
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| Monoisotopische Masse | 220,03472857 g/mol |
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| SMILES | O=C(OCC(F)(F)F)Oc1ccccc1 |
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| InChIKey | NGGUSKNBBASYGO-UHFFFAOYSA-N |
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| PubChem CID | 11031357 |
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| EC No. | 810-691-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 35,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 209 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P361+P364, P363, 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. 3 (100%) |
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