HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Hydroxynicotinic acid
AKOS NCG-0022 · 5-Hydroxynicotinic · Nicotinic acid-004 · TIMTEC-BB SBB010273 · 5-Hydroxynicotinic a · 5-hydroxy-nicotinicaci · 5-Hydroxy nicotic acid · 5-HYDROXYNICOTINIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 27828-71-3 |
|---|---|
| Summenformel | C6H5NO3 |
| Durchschnittliche Molmasse | 139,11 g/mol |
| Monoisotopische Masse | 139,02694302 g/mol |
| SMILES | O=C(O)c1cncc(O)c1 |
| InChIKey | ATTDCVLRGFEHEO-UHFFFAOYSA-N |
| PubChem CID | 34037 |
| ChEMBL | CHEMBL2146902 |
| ChEBI | CHEBI:169995 |
| EC No. | 622-583-6 |
| DTXSID | DTXSID50182143 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 137 |
| Schmelzpunkt | 299 °C |
| Siedepunkt | 519.3±35.0 °C(Predicted) |
| Dichte | 1.485±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 2.08±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Yellow |
| BRN | 115847 |
| InChI | InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10) |
| InChIKey | ATTDCVLRGFEHEO-UHFFFAOYSA-N |
| SMILES | C1=NC=C(O)C=C1C(O)=O |
| CAS Datenbank | 27828-71-3(CAS DataBase Reference) |
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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| RTECS-Nr. | QT1757500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful/Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5-Hydroxynicotinic acid is a nicotinic acid analog with potential inhibitory effect on the metabolism nicotinic acid by human platelets. Used in the investigation of the hydroxylation mechanism of the flaovoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO).