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Heptafluorbuttersaeureanhydrid
HFAA · PERFLUOROBUTYRIC ANHYDRIDE · 2,2,3,3,4,4,4-heptafluorobutanoic anhydride · AKOS B020344 · uorobutyric anhydride · Heptafluorotic anhydride · Perfluorobutanoic anhydride · HEPTAFLUOROBUTYRIC ANHYDRIDE
Identifikatoren & physikalische Daten
| CAS No. | 336-59-4 |
|---|---|
| Summenformel | C8F14O3 |
| Durchschnittliche Molmasse | 410,06 g/mol |
| Monoisotopische Masse | 409,96238894 g/mol |
| SMILES | O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | UFFSXJKVKBQEHC-UHFFFAOYSA-N |
| PubChem CID | 67643 |
| ChEBI | CHEBI:39424 |
| EC No. | 206-410-8 |
| DTXSID | DTXSID10861881 |
| Lokaler Name | Heptafluorbuttersaeureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 17 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 493 |
| PFAS | PFAS -> non-polymerPFAS -> Other/unspecifiedPFAS -> OECD CategoryPFAS -> Perfluoroalkane carbonyl fluoride (PACF)-based substances |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | −43 °C(lit.) |
| Siedepunkt | 108-110 °C(lit.) |
| Dichte | 1.674 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.287(lit.) |
| Flammpunkt | None |
| Lagerbedingungen | room temp |
| Löslichkeit | Miscible with halogenated solvents. Immiscible with polar solvents.REACTS |
| Aggregatzustand | Liquid |
| Wichte | 1.653 |
| Farbe | Colorless to Almost colorless |
| BRN | 856036 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22 |
| InChIKey | UFFSXJKVKBQEHC-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F |
| CAS Datenbank | 336-59-4(CAS DataBase Reference) |
| NIST chemische Informationen | Heptafluorobutyric anhydride(336-59-4) |
| EPA chemische Informationen | Heptafluorobutyric anhydride (336-59-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
|---|---|
| Regulatorische Informationen | Chemical: Butanoic acid, heptafluoro-, anhydrideBis(heptafluorobutyric) anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Short chain perfluorocarboxylic acids and their direct precursors: Human health tier II assessment |
| Hazard Classes and Categories | Skin Corr. 1B (100%)Eye damage - category 1 |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159080 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Hygroscopic |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
As a GC derivatizing agent, Heptafluorobutyric anhydride is used to prepare volatile derivatives of amino acids and other biologically active compounds.