HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-2-methylnicotinat
2-methylnicotin ethyl ester · Ethyl 2-methylnicotite · ETHYL 2-METHYLNICOTINATE · ethyle2-methylnicotinate · Ethyl 2-methylinicotinate · Ethyl2-Methylnicotinate>Ethyl2-methylnicotinate,97% · Ethyl 2-methylnicotinate 98% · 2-METHYLNICOTINIC ACID ETHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 1721-26-2 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | CCOC(=O)c1cccnc1C |
| InChIKey | TZORNSWZUZDUCU-UHFFFAOYSA-N |
| PubChem CID | 74401 |
| ChEMBL | CHEMBL217217 |
| EC No. | 217-013-4 |
| DTXSID | DTXSID80169205 |
| Lokaler Name | Ethyl-2-methylnicotinat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | 146-147 °C |
| Siedepunkt | 126-127 °C24 mm Hg(lit.) |
| Dichte | 1.072 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.505(lit.) |
| Flammpunkt | 217 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 4.02±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to orange |
| Löslichkeit | Slightly soluble in water. |
| BRN | 118200 |
| InChI | InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3 |
| InChIKey | TZORNSWZUZDUCU-UHFFFAOYSA-N |
| SMILES | C1(C)=NC=CC=C1C(OCC)=O |
| CAS Datenbank | 1721-26-2(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl 2-methylnicotinate(1721-26-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (90.7%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (90.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 2-methylpyridine-3-carboxylate was used in the preparation of amino esters such as ethyl 2(piperidinylaminomethyl)benzoate, ethyl 2-(N-benzyl-N-methylaminomethyl)benzoate, ethyl 2-(diethylaminomethyl)benzoate.