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Methyl-1H-pyrrol-1-carboxylat
METHYL 1-PYRROLECARBOXYLATE · N-METHYL PYRROLECARBOXYLATE · Methyl pyrrole-1-carboxylate · Methyl 1-pyrrolecarboxylate 98% · N-Methyl pyrrolecarboxylate,95% · METHYL 1H-PYRROLE-1-CARBOXYLATE · Methyl 1H-pyrrole-1-carboxylate 97% · PYRROLE-1-CARBOXYLIC ACID METHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 4277-63-8 |
|---|---|
| Summenformel | C6H7NO2 |
| Durchschnittliche Molmasse | 125,13 g/mol |
| Monoisotopische Masse | 125,04767846 g/mol |
| SMILES | COC(=O)n1cccc1 |
| InChIKey | MORALDOSFHZOQS-UHFFFAOYSA-N |
| PubChem CID | 77962 |
| EC No. | 224-281-6 |
| DTXSID | DTXSID20195422 |
| Lokaler Name | Methyl-1H-pyrrol-1-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 31,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 108 |
| Schmelzpunkt | 166-167°C |
| Siedepunkt | 180 °C770 mm Hg(lit.) |
| Dichte | 1.113 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.489(lit.) |
| Flammpunkt | 140 °F |
| Lagerbedingungen | Room temperature. |
| pKa (Säurekonstante) | -6.10±0.70(Predicted) |
| Aggregatzustand | liquid |
| InChI | 1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3 |
| InChIKey | MORALDOSFHZOQS-UHFFFAOYSA-N |
| SMILES | COC(=O)n1cccc1 |
| CAS Datenbank | 4277-63-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 3 |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
N-Carbomethoxypyrrole, is an alkyl pyrrolecarboxylate, used in the chemical synthesis of various compounds.