HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methoxynicotinic acid
2-Methoxy · AKOS GLO-BB-364 · BUTTPARK 94\04-28 · T6NJ BO1 CVQ [WWN] · TIMTEC-BB SBB005441 · RARECHEM AH CK 0125 · 2-Methoxylnicotinicacid · o-Methoxynicotinic acid
Identifikatoren & physikalische Daten
| CAS No. | 16498-81-0 |
|---|---|
| Summenformel | C7H7NO3 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,04259308 g/mol |
| SMILES | COc1ncccc1C(=O)O |
| InChIKey | FTEZJSXSARPZHJ-UHFFFAOYSA-N |
| PubChem CID | 708093 |
| EC No. | 605-381-2 |
| DTXSID | DTXSID60351727 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| Schmelzpunkt | 146-150 °C(lit.) |
| Siedepunkt | 285.5±20.0 °C(Predicted) |
| Dichte | 1.284±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.36±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | 1S/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10) |
| InChIKey | FTEZJSXSARPZHJ-UHFFFAOYSA-N |
| SMILES | COc1ncccc1C(O)=O |
| CAS Datenbank | 16498-81-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.WarningH315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (11.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Methoxynicotinic Acid can be used as potenti antifungal agent.