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Methylpyridin-2-carboxylat
Methyl-2-Picolinate · Methyl picolite · METHYL PICOLINATE · TIMTEC-BB SBB008127 · RARECHEM AL BF 0182 · Pyridine-2-carboxyL · picolin methyl ester · 2-Carbomethoxypyridine
Identifikatoren & physikalische Daten
| CAS No. | 2459-07-6 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | COC(=O)c1ccccn1 |
| InChIKey | NMMIHXMBOZYNET-UHFFFAOYSA-N |
| PubChem CID | 75569 |
| ChEMBL | CHEMBL309354 |
| ChEBI | CHEBI:167765 |
| EC No. | 219-545-2 |
| DTXSID | DTXSID4062432 |
| Lokaler Name | Methylpyridin-2-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 0.4 |
| Schmelzpunkt | 19℃ |
| Siedepunkt | 95 °C1 mm Hg(lit.) |
| Dichte | 1.137 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.521(lit.) |
| Flammpunkt | 217 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1:2.21(+1) (25°C) |
| Farbe | White |
| Löslichkeit | Slightly soluble in water. |
| InChI | 1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3 |
| InChIKey | NMMIHXMBOZYNET-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccn1 |
| CAS Datenbank | 2459-07-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pyridinecarboxylic acid, methyl ester(2459-07-6) |
| EPA chemische Informationen | 2-Pyridinecarboxylic acid, methyl ester (2459-07-6) |
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)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Pyridinecarboxylic acid, methyl ester |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methyl picolinate is used as pharmaceutical intermediate.