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Diethylfluormalonat
DIETHYL 2-FLUOROMALONATE · Propanedio · FLUOROMALONIC ACID DIETHYL ESTER · 1,2-Difluoromalonate · Ethyl fluoromalonate · DIETHYL FLUOROMALONATE · Diethyl fluoromalonnate · DiethylfluoroMalonate96%
Identifikatoren & physikalische Daten
| CAS No. | 685-88-1 |
|---|---|
| Summenformel | C7H11FO4 |
| Durchschnittliche Molmasse | 178,16 g/mol |
| Monoisotopische Masse | 178,06413705 g/mol |
| SMILES | CCOC(=O)C(F)C(=O)OCC |
| InChIKey | GOWQBFVDZPZZFA-UHFFFAOYSA-N |
| PubChem CID | 12702 |
| EC No. | 211-684-7 |
| DTXSID | DTXSID80218626 |
| Lokaler Name | Diethylfluormalonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 151 |
| SpringerMaterials Properties | 19F nuclear magnetic resonance spectrum |
| Siedepunkt | 121-122 °C30 mm Hg(lit.) |
| Dichte | 1.129 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.407(lit.) |
| Flammpunkt | 144 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 10.40±0.46(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.129 |
| Farbe | Clear colorless to pale yellow |
| BRN | 1775686 |
| InChI | InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3 |
| InChIKey | GOWQBFVDZPZZFA-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(F)C(OCC)=O |
| CAS Datenbank | 685-88-1(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl fluoromalonate(685-88-1) |
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 49 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 03-06-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12112 |
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29171900 |
| RTECS-Nr. | OO1670000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,T |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-25-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
The kinetic parameters of diethyl fluoromalonate in hemolysates were used to study carboxylesterase activities in complex systems.