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Methyl but-2-ynoate
methyl but-2-ynoate · METHYL TETROLATE · Methyle2-butynoate · Methyl 2-butynoate · Methyl-2-Butynaote97% · Methyl 2-butynoate,97% · TETROLIC ACID METHYL ESTER · Methyl 2-butynoate, 97% 5GR
Identifikatoren & physikalische Daten
| CAS No. | 23326-27-4 |
|---|---|
| Summenformel | C5H6O2 |
| Durchschnittliche Molmasse | 98,1 g/mol |
| Monoisotopische Masse | 98,03677943 g/mol |
| SMILES | CC#CC(=O)OC |
| InChIKey | UJQCANQILFWSDJ-UHFFFAOYSA-N |
| PubChem CID | 141019 |
| EC No. | 675-802-2 |
| DTXSID | DTXSID90177876 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 124 |
| Siedepunkt | 76-77 °C (80 mmHg) |
| Dichte | 0.98 |
| Brechungsindex | 1.436-1.438 |
| Flammpunkt | 45 °C |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| InChI | InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3 |
| InChIKey | UJQCANQILFWSDJ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C#CC |
| CAS Datenbank | 23326-27-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN-Transportnummer | 1993 |
| Zollcode | 29161900 |
| R-Sätze (R) | 10-36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-36/37/39-26 |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Methyl 2-Butynoate, is an alkynoate used in preparation of various compounds such as preparation of phenanthrenes/benzoindolyl carboxylates.