HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hydroxyisonicotinic Acid
RARECHEM AL BO 2291 · 2-Hydroxyisonicotini · 2-Hydroxyisonicotinicaci · 4-CARBOXY-2(1H)-PYRIDINONE · 2-HYDROXYISONICOTINIC ACID · 2-Hydroxyisonicotinic acid?New · 2-HYDROXY-ISONICOTINIC ACID 98% · 2-HYDROXY-4-PYRIDINECARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 22282-72-0 |
|---|---|
| Summenformel | C6H5NO3 |
| Durchschnittliche Molmasse | 139,11 g/mol |
| Monoisotopische Masse | 139,02694302 g/mol |
| SMILES | O=C(O)c1cc[nH]c(=O)c1 |
| InChIKey | BXHCJLRTXPHUGH-UHFFFAOYSA-N |
| PubChem CID | 280756 |
| EC No. | 835-024-8 |
| DTXSID | DTXSID70944942 |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 239 |
| Schmelzpunkt | 300 |
| Siedepunkt | 384.0±42.0 °C(Predicted) |
| Dichte | 1.451±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2+-.0.20(Predicted) |
| Farbe | White to Orange to Green |
| InChI | InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10) |
| InChIKey | BXHCJLRTXPHUGH-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=CC(C(O)=O)=C1 |
| CAS Datenbank | 22282-72-0(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2933399990 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Used in the synthesis of selective inhibitors of neuropeptide Y Y5 inhibiting food intake. Also used in the optimization of p-subsite residues of HIV protease inhibitors.