HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Pyridinecarboxamide, 5-hydroxy-
5-hydroxynicotinamide · 5-hydroxypyridine-3-carboxamide · 5-hydroxyamide · 5-Hydroxynicotinic acid amide · 5-hydroxy-3-PyridinecarboxaMide · 3-Pyridinecarboxamide, 5-hydroxy- · 5-hydroxynicotinamide(SALTDATA: FREE) · 3-Pyridinecarboxamide,5-hydroxy-(9CI)
Identifikatoren & physikalische Daten
| CAS No. | 101512-21-4 |
|---|---|
| Summenformel | C6H6N2O2 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,04292743 g/mol |
| SMILES | NC(=O)c1cncc(O)c1 |
| InChIKey | UIJCDEKRKCCYIF-UHFFFAOYSA-N |
| PubChem CID | 354313 |
| EC No. | 817-037-0 |
| DTXSID | DTXSID30143974 |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 222-224 °C |
| Siedepunkt | 479.3±30.0 °C(Predicted) |
| Dichte | 1.384±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 8.54±0.10(Predicted) |
| InChI | InChI=1S/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10) |
| InChIKey | UIJCDEKRKCCYIF-UHFFFAOYSA-N |
| SMILES | C1=NC=C(O)C=C1C(N)=O |
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 H302 |
Anwendungen & Verwendung
Verwenden
3-Pyridinecarboxamide,5-hydroxy-(9CI) is mainly used as a synthetic intermediate in the fields of medicine and pesticides to prepare active compounds containing pyridine rings, and can also be used as a raw material for fine chemical production.