HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxypyridin-2-carbonsure
3-HPA · RARECHEM AL BO 0972 · TIMTEC-BB SBB006727 · 3-hydroxypicolinicaci · 3-HYDROXYPICOLINIC ACID · 2-Carboxy-3-hydroxypyridine · 3-Hydroxy-2-carboxypyridine · 3-Hydroxypicolinic acid,98%
Identifikatoren & physikalische Daten
| CAS No. | 874-24-8 |
|---|---|
| Summenformel | C6H5NO3 |
| Durchschnittliche Molmasse | 139,11 g/mol |
| Monoisotopische Masse | 139,02694302 g/mol |
| SMILES | O=C(O)c1ncccc1O |
| InChIKey | BRARRAHGNDUELT-UHFFFAOYSA-N |
| PubChem CID | 13401 |
| ChEMBL | CHEMBL1234326 |
| ChEBI | CHEBI:64342 |
| EC No. | 212-859-0 |
| DTXSID | DTXSID80236320 |
| Lokaler Name | 3-Hydroxypyridin-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 137 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | -1.27 |
| Physical Description | Solid |
| Schmelzpunkt | 213-218 °C (lit.) |
| Siedepunkt | 255.04°C (rough estimate) |
| Dichte | 1.4429 (rough estimate) |
| Brechungsindex | 1.5423 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Acetonitrile (Slightly), DMSO (Slightly)Soluble in water (0.25g in 10ml). |
| Aggregatzustand | Fine Powder |
| pKa (Säurekonstante) | 1.14±0.50(Predicted) |
| Farbe | White to almost white |
| BRN | 118954 |
| InChI | InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10) |
| InChIKey | BRARRAHGNDUELT-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC=CC=C1O |
| CAS Datenbank | 874-24-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Hydroxypicolinic acid(874-24-8) |
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 63 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-20/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-28-36/37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Hydroxypicolinic acid (3-HPA) is a matrix material used in matrix-assisted laser desorption/ionization (MALDI) based mass spectroscopy (MS) for the analysis of large biomolecules and quantification of oligonucleotides.