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2,2,3,3,4,4,4-Heptafluorbutan-1-ol
1H,1H-HEPTAFLUOROBUTAN-1-OL · HEPTAFLUOROBUTANOL · (Perfluoropropyl)methanol · Butanol, 2,2,3,3,4,4,4-heptafluoro- · HEPTAFLUORO-1-BUTANOL · 1,1H-perfluorobutanol · 1H,1H-Perfluorobutanol · 1H,1H-HEPTAFLUOROBUTANOL
Identifikatoren & physikalische Daten
| CAS No. | 375-01-9 |
|---|---|
| Summenformel | C3F7CH2OH |
| Durchschnittliche Molmasse | 200,05 g/mol |
| Monoisotopische Masse | 200,00721226 g/mol |
| SMILES | OCC(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | WXJFKAZDSQLPBX-UHFFFAOYSA-N |
| PubChem CID | 9776 |
| ChEMBL | CHEMBL4570439 |
| EC No. | 206-782-1 |
| DTXSID | DTXSID4059914 |
| Lokaler Name | 2,2,3,3,4,4,4-Heptafluorbutan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Fluorotelomer based substancesPFAS -> OECD CategoryPFAS -> Other/unspecifiedPFAS -> F-telomer alcohols (FTOH) |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 1.81 |
| Dampfdruck | 33.1 [mmHg] |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 96-97 °C(lit.) |
| Dichte | 1.6 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.3(lit.) |
| Flammpunkt | 77 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 12.53±0.10(Predicted) |
| Wichte | 1.600 |
| Farbe | White to light beige |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 1761907 |
| Henry-Konstante | 2.1×10-2 mol/(m3Pa) at 25℃, I. et al. (1999) |
| InChI | InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 |
| InChIKey | WXJFKAZDSQLPBX-UHFFFAOYSA-N |
| SMILES | C(O)C(F)(F)C(F)(F)C(F)(F)F |
| CAS Datenbank | 375-01-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Butanol, 2,2,3,3,4,4,4-heptafluoro- (375-01-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): 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 60 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28355 |
| Gefahrenübersicht | Produced signs of neurotoxicity (narcosis) in 6-hr lethal-concentration study of ratsSignificantly increased mean liver weights (accompanied by increased alkaline phosphatase) observed in 5-day inhalation study of rats at 1,000 ppm/6hr/day[EPA - TSCATS] A skin and strong eye irritantHarmful by inhalation[Alfa Aesar MSDS] See 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) > 2,000 ppm/6hr |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29055900 |
| RTECS-Nr. | EL4130000 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26 |
Anwendungen & Verwendung
Verwenden
2,2,3,3,4,4,4-Heptafluoro-1-butanol can be used to synthesize poly(2-hydroxyethyl vinyl ether)-block-poly(2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl vinyl ether) (poly(HOVE-b-HFBOVE), a fluorinated amphiphilic block copolymer.