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Ethyl-3-(chlorformyl)propionat
Ethyl 4-chloro-4-oxobutanoate · Ethyl succinoyl chloride · ETHYL 4-CHLORO-4-OXOBUTYRATE · ETHYL 3-(CHLOROFORMYL)PROPIONATE · Butanoic acid, 4-chloro-4-oxo-, ethyl ester · SKL1293 · oro-4-oxobutyrate · ETHYL SUCCINYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 14794-31-1 |
|---|---|
| Summenformel | C6H9ClO3 |
| Durchschnittliche Molmasse | 164,59 g/mol |
| Monoisotopische Masse | 164,0240218 g/mol |
| SMILES | CCOC(=O)CCC(=O)Cl |
| InChIKey | IXZFDJXHLQQSGQ-UHFFFAOYSA-N |
| PubChem CID | 84648 |
| EC No. | 238-855-9 |
| DTXSID | DTXSID4065818 |
| Lokaler Name | Ethyl-3-(chlorformyl)propionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| Siedepunkt | 88-90 °C11 mm Hg(lit.) |
| Dichte | 1.155 g/mL at 25 °C(lit.) |
| Dampfdruck | 48.2Pa at 25℃ |
| Brechungsindex | n20/D 1.437(lit.) |
| Flammpunkt | 184 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Chloroform, Ethyl Acetate59.01g/L at 25℃ |
| Aggregatzustand | Liquid |
| Wichte | 1.144 to 1.17 |
| Farbe | Clear colorless to yellow |
| BRN | 1766126 |
| InChI | 1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3 |
| InChIKey | IXZFDJXHLQQSGQ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCC(Cl)=O |
| LogP (Verteilungskoeffizient) | 0.05 |
| CAS Datenbank | 14794-31-1(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoic acid, 4-chloro-4-oxo-, ethyl ester(14794-31-1) |
| EPA chemische Informationen | Butanoic acid, 4-chloro-4-oxo-, ethyl ester (14794-31-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, 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. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (11.5%)Skin Corr. 1C (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29171990 |
| R-Sätze (R) | 34-36/37-14 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45-24/25 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Ethyl 4-chloro-4-oxobutyrate was used in the synthesis of:polymer-supported bifunctional catalystsuccinimidyl ester of benzo(a)pyrenesuccinate prodrugs of curcuminoids