HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-4-chlorbutyrat
Ethyl 4-chlorobutanoate · NSC 81215 · orobutyrate · Levetiracetam-13 · Cl(CH2)3C(O)OC2H5 · Ethyl-y-Chlorobutyrate · Ethyl γ-Chlorobutyrate · Ethyl ω-Chlorobutyrate
Identifikatoren & physikalische Daten
| CAS No. | 3153-36-4 |
|---|---|
| Summenformel | C6H11ClO2 |
| Durchschnittliche Molmasse | 150,6 g/mol |
| Monoisotopische Masse | 150,04475727 g/mol |
| SMILES | CCOC(=O)CCCCl |
| InChIKey | OPXNFHAILOHHFO-UHFFFAOYSA-N |
| PubChem CID | 18474 |
| EC No. | 221-591-3 |
| DTXSID | DTXSID90185431 |
| Lokaler Name | Ethyl-4-chlorbutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83,1 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 186 °C(lit.) |
| Dichte | 1.075 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.432(lit.) |
| Flammpunkt | 125 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to brownish |
| Löslichkeit | Insoluble |
| BRN | 1098810 |
| InChI | InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3 |
| InChIKey | OPXNFHAILOHHFO-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CCCCl |
| CAS Datenbank | 3153-36-4(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoic acid, 4-chloro-, ethyl ester(3153-36-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (69%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butanoic acid, 4-chloro-, ethyl esterEthyl 4-chlorobutyrate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Methyl dichloroacetate. |
| Hazard Classes and Categories | Acute Tox. 4 (69%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38-22-10 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39-16-24/25 |
| Gefahrenklasse | 3.2Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 4-chlorobutyrate is a reagent used in the preparation of cyclopropane derivatives.