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HCID 69748Erstellt: 3. November 2026
α,α-Bis(trifluormethyl)benzylalkohol
HFAB · 1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-ol · hexafluorocumyl alcohol · HEXAFLUORO-2-PHENYLISOPROPANOL · 1,1,1,3,3,3-H · HEXAFLUORO-2-PHENYLPROPAN-2-OL · Hexafluoro-2-phenyl-2-propanol · 2-HYDROXY-2-PHENYLHEXAFLUOROPROPANE
https://huagongshe.com/de/chemical/69748
Identifikatoren & physikalische Daten
| CAS No. | 718-64-9 |
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| Summenformel | C9H6F6O |
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| Durchschnittliche Molmasse | 244,13 g/mol |
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| Monoisotopische Masse | 244,03228378 g/mol |
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| SMILES | OC(c1ccccc1)(C(F)(F)F)C(F)(F)F |
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| InChIKey | IZPIZCAYJQCTNG-UHFFFAOYSA-N |
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| PubChem CID | 69748 |
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| ChEMBL | CHEMBL3955910 |
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| EC No. | 211-943-4 |
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| DTXSID | DTXSID3061051 |
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| Lokaler Name | α,α-Bis(trifluormethyl)benzylalkohol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 223 |
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| LogP (Verteilungskoeffizient) | 3.41 |
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| Siedepunkt | 160 °C(lit.) |
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| Dichte | 1.45 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.415(lit.) |
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| Flammpunkt | 140 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | 9.20±0.10(Predicted) |
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| Farbe | Colorless to Almost colorless |
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| BRN | 2053547 |
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| InChI | 1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H |
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| InChIKey | IZPIZCAYJQCTNG-UHFFFAOYSA-N |
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| SMILES | OC(c1ccccc1)(C(F)(F)F)C(F)(F)F |
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| CAS Datenbank | 718-64-9(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzenemethanol, .alpha.,.alpha.-bis(trifluoromethyl)- (718-64-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 3 (97.8%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1987 3/PG 3 |
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| Zollcode | 29062990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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