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Ethyldichloracetat
Ethyl 2,2-dichloroacetate · DICHLOROACETIC ACID ETHYL ESTER · ETHYL DICHLOROACETATE FOR SYNTHESIS · NSC 6748 · NSC 27788 · Ethyldichloracetat · RARECHEM AL BI 0385 · ETHYL DICHLOROACETATE
Identifikatoren & physikalische Daten
| CAS No. | 535-15-9 |
|---|---|
| Summenformel | C4H6Cl2O2 |
| Durchschnittliche Molmasse | 156,99 g/mol |
| Monoisotopische Masse | 155,97448479 g/mol |
| SMILES | CCOC(=O)C(Cl)Cl |
| InChIKey | IWYBVQLPTCMVFO-UHFFFAOYSA-N |
| PubChem CID | 10808 |
| EC No. | 208-611-6 |
| DTXSID | DTXSID7060205 |
| Lokaler Name | Ethyldichloracetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 82,1 |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 54-55 °C11 mm Hg(lit.) |
| Dichte | 1.28 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.438 |
| Flammpunkt | 62 °C |
| Aggregatzustand | liquid |
| Farbe | Clear, colourless |
| BRN | 773995 |
| Dielektrizitätskonstante | 10.0(22℃) |
| InChI | 1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 |
| InChIKey | IWYBVQLPTCMVFO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(Cl)Cl |
| EPA chemische Informationen | Acetic acid, dichloro-, ethyl ester (535-15-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, dichloro-, ethyl esterEthyl dichloroacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 2915907098 |
| R-Sätze (R) | 20/21-36/37 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-26-36 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 4 DermalEye Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl dichloroacetate may be used in the synthesis of α-halo-carboxylic acid ester.