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Methylpropiolat
4-Methoxy-4-oxobut-2-ynoic acid · PROPYNOIC ACID, METHYL ESTER · HCequivCCOOCH3 · METHYL PROPYNOATE · METHYL PROPIOLATE · Methyl propinoate · METHYPROPIOLATE,99% · Methyl propargylate
Identifikatoren & physikalische Daten
| CAS No. | 922-67-8 |
|---|---|
| Summenformel | C4H4O2 |
| Durchschnittliche Molmasse | 84,07 g/mol |
| Monoisotopische Masse | 84,02112937 g/mol |
| SMILES | C#CC(=O)OC |
| InChIKey | IMAKHNTVDGLIRY-UHFFFAOYSA-N |
| PubChem CID | 13536 |
| ChEMBL | CHEMBL4086262 |
| EC No. | 213-083-5 |
| DTXSID | DTXSID60238923 |
| Lokaler Name | Methylpropiolat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 95,4 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 171-173 °C |
| Siedepunkt | 103-105 °C (lit.) |
| Dichte | 0.945 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.408(lit.) |
| Flammpunkt | 50 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Sparingly)Not miscible in water. |
| Aggregatzustand | Liquid |
| Wichte | 0.9450 |
| Farbe | Clear colorless |
| BRN | 605462 |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents, bases, acids. |
| InChI | 1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3 |
| InChIKey | IMAKHNTVDGLIRY-UHFFFAOYSA-N |
| SMILES | COC(=O)C#C |
| CAS Datenbank | 922-67-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propynoic acid, methyl ester(922-67-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 12-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24695 |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 2 |
| Zollcode | 29161980 |
| RTECS-Nr. | UE0050000 |
| R-Sätze (R) | 11-36/37/38-36 |
| Gefahrensymbole | F,Xi |
| hazard_note | Highly Flammable/Harmful |
| Sicherheitshinweise (S) | 26-36-36/37/39-23-16-33-7/9 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl propiolate was used in the synthesis of polysubstituted 3-arylaminoacrylate and tetrahydropyrimidin-2-one derivatives. It was also used as a thiol derivatizing agent for capillary electrophoresis.