HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 5-formylpyridine-3-carboxylate
Methyl 5-formylnicotinate · 5-Formyl-nicotinic Acid Methyl Ester · 5-ForMyl-3-pyridinecarboxylic Acid Methyl Ester · methyl 5-formylpyridine-3-carboxylate - [M87111] · 3-Pyridinecarboxylic acid, 5-formyl-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 6221-06-3 |
|---|---|
| Summenformel | C8H7NO3 |
| Durchschnittliche Molmasse | 165,15 g/mol |
| Monoisotopische Masse | 165,04259309 g/mol |
| SMILES | COC(=O)c1cncc(C=O)c1 |
| InChIKey | VLRLIUOJJSNOCS-UHFFFAOYSA-N |
| PubChem CID | 19744729 |
| EC No. | 880-382-0 |
| DTXSID | DTXSID90599493 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 181 |
| Schmelzpunkt | 85-91°C |
| Siedepunkt | 286.1±25.0 °C(Predicted) |
| Dichte | 1.249±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator, Under Inert Atmosphere |
| Löslichkeit | Chloroform (Slightly), Dichloromethane, Ethyl Acetate (Slightly), Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.39±0.20(Predicted) |
| Farbe | Off-White to Pale Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
5-Formyl Nicotinic Acid Methyl Ester (cas# 6221-06-3) is a compound useful in organic synthesis.