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Diazoessigsäure-ethylester
Ethyl 2-diazoacetate · Diazoacetic acid ethyl ester · Daae · Diazoacetic ester · Ethyl diazoethanoate · Ethoxycarbonyldiazomethane · Ethyl diazoate · diazoaceticester
Identifikatoren & physikalische Daten
| CAS No. | 623-73-4 |
|---|---|
| Summenformel | C4H6N2O2 |
| Durchschnittliche Molmasse | 114,1 g/mol |
| Monoisotopische Masse | 114,04292744 g/mol |
| SMILES | CCOC(=O)C=[N+]=[N-] |
| InChIKey | YVPJCJLMRRTDMQ-UHFFFAOYSA-N |
| PubChem CID | 12192 |
| ChEMBL | CHEMBL4212182 |
| EC No. | 210-810-8 |
| Lokaler Name | Diazoessigsäure-ethylester |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 126 |
| Dichte | 1.085 @25 °C1.085 g/mL at 25 °C (lit.) |
| Physical Description | Yellow liquid with a pungent odor[Merck Index] Light to dark yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -22 °C (lit.) |
| Siedepunkt | 140-141 °C/720 mmHg (lit.) |
| Brechungsindex | n20/D 1.46(lit.) |
| Flammpunkt | 115 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Soluble), Hexane (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Light Yellow to Orange |
| Merck | 13,3021 |
| BRN | 107654 |
| InChI | InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3 |
| InChIKey | YVPJCJLMRRTDMQ-UHFFFAOYSA-N |
| SMILES | C(=O)(OCC)C=[N+]=[N-] |
| NIST chemische Informationen | Ethyl diazoacetate(623-73-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 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 | Acetic acid, diazo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Highly volatile and explosive[Merck Index] May explode on heatingAn irritantMay cause nervous system disturbancesPossible carcinogen and mutagenTargets the liver and pancreasHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] See Diazodinitrophenol. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (100%) |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29270000 |
| RTECS-Nr. | AG5775000 |
| R-Sätze (R) | 5-10-22-40-67-65-48/20-38-11-63 |
| Gefahrensymbole | Xn,F |
| Sicherheitshinweise (S) | 36/37-62-16 |
| Gefahrenklasse | 3.2Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3Self-react. ESkin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 5.2 - Organic peroxides and self-reacting hazardous materials |
Anwendungen & Verwendung
Verwenden
Reagent for ruthenium-catalyzed asymmetric cyclopropanation of alkenes.1