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Methylchlorglyoxylat
Methyl 2-chloro-2-oxoacetate · METHYL CHLOROOXOACETATE · Methyl (Chlorocarbonyl)formate · MONO-METHYL OXALYL CHLORIDE · Methyl Oxalyl Choride · METHYL CHLOROGLYOXYLATE · Methyl chlorooxoacetate 96% · Oxalyl chloride MonoMethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 5781-53-3 |
|---|---|
| Summenformel | C3H3ClO3 |
| Durchschnittliche Molmasse | 122,51 g/mol |
| Monoisotopische Masse | 121,97707164 g/mol |
| SMILES | COC(=O)C(=O)Cl |
| InChIKey | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
| PubChem CID | 79846 |
| EC No. | 227-307-4 |
| DTXSID | DTXSID9064003 |
| Lokaler Name | Methylchlorglyoxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 98,4 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Siedepunkt | 118-120 °C (lit.) |
| Dichte | 1.332 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.419(lit.) |
| Flammpunkt | 116 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl AcetateMiscible with water. |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| Geruch | Acrid |
| BRN | 1071541 |
| Stabilität | Hygroscopic |
| InChI | 1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3 |
| InChIKey | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Cl)=O |
| CAS Datenbank | 5781-53-3(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, chlorooxo-, methyl ester (5781-53-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22282Chloroglyoxylic acid methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29171900 |
| R-Sätze (R) | 34-37-10-36-14 |
| Gefahrensymbole | C,F |
| Sicherheitshinweise (S) | 26-36/37/39-45-16 |
| Gefahrenklasse | 8Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl oxalyl chloride is used as a synthetic reagent. It serves as a reagent in the synthesis of fused coumarins, substituted isoxazoles and heterocycles. Further, it is used in intramolecular Wittig reactions, and iron-mediated cleavage of C-C bonds.