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Dimethylpyridin-3,5-dicarboxylat
5-dicarboxylate · dimethyl pyridine-3 · pyridine-3,5-dicarboxyL · Dimethyl 3,5-Pyridinedicarboxylate · dimethyl pyridine-3,5-dicarboxylate · pyridine-3,5-dimacetic acidimethyl ester · 3,5-Pyridinedicarboxylic acid dimethyl ester · 3,5-Pyridinedicarboxylicacid, 3,5-diMethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 4591-55-3 |
|---|---|
| Summenformel | C9H9NO4 |
| Durchschnittliche Molmasse | 195,17 g/mol |
| Monoisotopische Masse | 195,05315777 g/mol |
| SMILES | COC(=O)c1cncc(C(=O)OC)c1 |
| InChIKey | HDTNLHHNQYBOHJ-UHFFFAOYSA-N |
| PubChem CID | 78339 |
| EC No. | 224-981-1 |
| DTXSID | DTXSID60196655 |
| Lokaler Name | Dimethylpyridin-3,5-dicarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 207 |
| Schmelzpunkt | 84-85 °C |
| Siedepunkt | 267.6±20.0 °C(Predicted) |
| Dichte | 1.231±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Dichloromethane, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.16±0.20(Predicted) |
| Farbe | Pale Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933399990 |
Anwendungen & Verwendung
Verwenden
Dimethyl 3,5-Pyridinedicarboxylate (cas# 4591-55-3) is a compound useful in organic synthesis.