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Methylheptafluorbutyrat
METHYL PERFLUOROBUTYRATE · Methyl perfluorobutanoate · METHYL HEPTAFLUOROBUTYRATE · methylheptafluorobutanoate · METHYL PERFLUORO-N-BUTYRATE · Methyl heptafluorobutanoate · MethylHeptafluorobutyrate>METHYL HEPTAFLUORO-N-BUTYRATE · Methyl perfluorobutanoate 98%
Identifikatoren & physikalische Daten
| CAS No. | 356-24-1 |
|---|---|
| Summenformel | C5H3F7O2 |
| Durchschnittliche Molmasse | 228,06 g/mol |
| Monoisotopische Masse | 228,00212688 g/mol |
| SMILES | COC(=O)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | MRPUVAKBXDBGJQ-UHFFFAOYSA-N |
| PubChem CID | 67741 |
| EC No. | 206-600-0 |
| DTXSID | DTXSID4059881 |
| Lokaler Name | Methylheptafluorbutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 231 |
| PFAS | PFAS -> Other/unspecifiedPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> OECD Category |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | -86°C |
| Siedepunkt | 80-81 °C(lit.) |
| Dichte | 1.472 g/mL at 25 °C(lit.) |
| Dampfdichte | >1 (vs air) |
| Brechungsindex | n20/D 1.293(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | Slightly soluble in water |
| Aggregatzustand | clear liquid |
| Wichte | 1.472 |
| Farbe | Colorless to Almost colorless |
| BRN | 1792131 |
| InChI | InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3 |
| InChIKey | MRPUVAKBXDBGJQ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(F)(F)C(F)(F)C(F)(F)F |
| CAS Datenbank | 356-24-1(CAS DataBase Reference) |
| EPA chemische Informationen | Methyl heptafluorobutyrate (356-24-1) |
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 45 reports by companies from 5 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/24059 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG II |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANT, FLAMMABLE |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Methyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.