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2,2,3,3-Tetrafluoro-1,4-butanediol
2,2,3,3-TETRAFLUOROBUTANE-1,4-DIOL · TFBO · NSC 95113 · Tetrafluorobutanediol · Tetrafluoro-1,4-butanediol · 2,2,3,3-Tetrafluorobutanediol · 2,2,3,3-Tetrafluoro-1,4-butanediol · 1,4-Butanediol, 2,2,3,3-tetrafluoro-
Identifikatoren & physikalische Daten
| CAS No. | 425-61-6 |
|---|---|
| Summenformel | C4H6F4O2 |
| Durchschnittliche Molmasse | 162,08 g/mol |
| Monoisotopische Masse | 162,03039231 g/mol |
| SMILES | OCC(F)(F)C(F)(F)CO |
| InChIKey | CDZXJJOGDCLNKX-UHFFFAOYSA-N |
| PubChem CID | 136270 |
| EC No. | 670-431-2 |
| DTXSID | DTXSID80195281 |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 99,8 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| Physical Description | White crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 77-82 °C(lit.) |
| Siedepunkt | 110-112 °C13 mm Hg(lit.) |
| Dichte | 1.3091 (estimate) |
| Flammpunkt | 110-112°C/13mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 12.83±0.10(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | Soluble in water. |
| BRN | 1745847 |
| InChI | InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2 |
| InChIKey | CDZXJJOGDCLNKX-UHFFFAOYSA-N |
| SMILES | C(O)C(F)(F)C(F)(F)CO |
| CAS Datenbank | 425-61-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See 2,2,3,3,4,4,4-Heptafluoro-1-butanol. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 2905.39.9000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 37/39-26 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFUL |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,2,3,3-Tetrafluoro-1,4-butanediol is a reactant used for the enzymic synthesis of silicone fluorinated aliphatic polyester amides.