HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 103992Erstellt: 26. Oktober 2026
Methyl-1-methylpyrrol-2-acetat
Methyl 2-(1-Methyl-1H-pyrrol-2-yl)acetate · 1-METHYLPYRROLE-2-ACETIC ACID METHYL ESTER · LABOTEST-BB LT00455212 · N-methyl-2-pyrrole-acetate · METHYL,1-METHYL PYRROLEACETATE · methyl 1-methylpyrrol-2-acetate · METHYL 1-METHYL-2-PYRROLEACETATE · METHYL 1-METHYLPYRROLE-2-ACETATE
https://huagongshe.com/de/chemical/103992
Identifikatoren & physikalische Daten
| CAS No. | 51856-79-2 |
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| Summenformel | C8H11NO2 |
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| Durchschnittliche Molmasse | 153,18 g/mol |
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| Monoisotopische Masse | 153,07897859 g/mol |
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| SMILES | COC(=O)Cc1cccn1C |
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| InChIKey | CGYVDYLHQYNGFC-UHFFFAOYSA-N |
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| PubChem CID | 103992 |
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| EC No. | 257-478-0 |
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| DTXSID | DTXSID10199818 |
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| Lokaler Name | Methyl-1-methylpyrrol-2-acetat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 31,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 147 |
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| Siedepunkt | 80-85 °C2 mm Hg(lit.) |
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| Dichte | 1.064 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.501(lit.) |
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| Flammpunkt | 224 °F |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | 8.3 g/L (20°C)8.3 g/L (20 ºC) |
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| pKa (Säurekonstante) | -3.42±0.70(Predicted) |
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| Aggregatzustand | clear liquid |
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| Farbe | Light yellow to Brown |
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| InChI | InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3 |
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| InChIKey | CGYVDYLHQYNGFC-UHFFFAOYSA-N |
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| SMILES | N1(C)C=CC=C1CC(OC)=O |
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| LogP (Verteilungskoeffizient) | 0.886 (est) |
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| CAS Datenbank | 51856-79-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester(51856-79-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.WarningH315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester |
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| Hazard Classes and Categories | Skin Irrit. 2 (95.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-37/39 |
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