HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methylcyclopropancarboxylat
METHYL CYCLOPROPANECARBOXYLATE · MCPC · Methyl cyclopropylcarboxylate · CYCLOPROPANECARBOXYLIC ACID METHYL ESTER · Cyclopropyl methyl ester · RARECHEM AL BF 0553 · Methyl cyclopropanoate · Lenvatinib Impurity 67
Identifikatoren & physikalische Daten
| CAS No. | 2868-37-3 |
|---|---|
| Summenformel | C5H8O2 |
| Durchschnittliche Molmasse | 100,12 g/mol |
| Monoisotopische Masse | 100,0524295 g/mol |
| SMILES | COC(=O)C1CC1 |
| InChIKey | PKAHQJNJPDVTDP-UHFFFAOYSA-N |
| PubChem CID | 76122 |
| ChEBI | CHEBI:131412 |
| EC No. | 220-690-9 |
| DTXSID | DTXSID3051967 |
| Lokaler Name | Methylcyclopropancarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 84,1 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 119 °C/764 mmHg (lit.) |
| Dichte | 0.985 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.419(lit.) |
| Flammpunkt | 64 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)Not miscible or difficult to mix in water. |
| Aggregatzustand | Liquid |
| Wichte | 0.980.985 |
| Farbe | Clear colorless |
| BRN | 2039388 |
| Henry-Konstante | 4.1×10-1 mol/(m3Pa) at 25℃, Bagno et al. (1991) |
| InChI | 1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3 |
| InChIKey | PKAHQJNJPDVTDP-UHFFFAOYSA-N |
| SMILES | COC(=O)C1CC1 |
| CAS Datenbank | 2868-37-3(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopropanecarboxylic acid, methyl ester(2868-37-3) |
| EPA chemische Informationen | Cyclopropanecarboxylic acid, methyl ester (2868-37-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 35.6% (37 of 104) of reports.DangerH225 (53.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 104 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclopropanecarboxylic acid, methyl esterStatus: Active Update: 02-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21345 |
| Hazard Classes and Categories | Flam. Liq. 2 (53.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1992 3/PG 2 |
| Zollcode | 29162000 |
| RTECS-Nr. | GZ2017500 |
| R-Sätze (R) | 11-21/22-36 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 16-26-36-9-33-29 |
| Gefahrenklasse | 3Acute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 435 °C |
Anwendungen & Verwendung
Verwenden
Methyl cyclopropane carboxylate is used as a reagent in the synthesis of N’thiazole and N-pyrazole based inhibitors of MAP kinase p38α.