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Methyl cyclopent-1-ene-1-carboxylate
Methyl cyclopent-1-ene-1-carboxylate · 1-(carboxymethoxy)cyclopentadiene · Methyl 1-cyclopentenoate · 1-cyclopentene-1-carboxylate · 1-(Methoxycarbonyl)cyclopentene · Methyl 1-cyclopentenecarboxylate · Methyl cyclopent-1-enecarboxylate · METHYL CYCLOPENTENE-1-CARBOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 25662-28-6 |
|---|---|
| Summenformel | C7H10O2 |
| Durchschnittliche Molmasse | 126,15 g/mol |
| Monoisotopische Masse | 126,06807956 g/mol |
| SMILES | COC(=O)C1=CCCC1 |
| InChIKey | VTYCAXIAUKEGBQ-UHFFFAOYSA-N |
| PubChem CID | 549129 |
| EC No. | 805-986-3 |
| DTXSID | DTXSID10338442 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 147 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 76-78 °C/9 mmHg (lit.) |
| Dichte | 1.031 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.4660(lit.) |
| Flammpunkt | 135 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder or Low Melting Solid |
| Farbe | White to pale yellow |
| BRN | 2040162 |
| InChI | InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3 |
| InChIKey | VTYCAXIAUKEGBQ-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)CCCC=1 |
| CAS Datenbank | 25662-28-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29162090 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 1-cyclopentene-1-carboxylate may be used as starting material in the synthesis of pinnaic acid and halichlorine. It undergoes asymmetric oxidative Heck reaction with aryl boronic acids to form coupling products in the presence of chiral NHC (N-heterocyclic carbine)-palladium (II) complex.