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2-Hydroxypyridin-1-oxid
HOPO · 2-HYDROXYPYRIDINE 1-OXIDE · 2-HYDROXYPYRIDINE N-OXIDE · HPNO · 1-oxide · 1-HYDROXY-2-PYRIDONE · 1-hydroxypyridin-2-one · 2-Hydorxy Pyridine-N-Oxide
Identifikatoren & physikalische Daten
| CAS No. | 13161-30-3 |
|---|---|
| Summenformel | C5H5NO2 |
| Durchschnittliche Molmasse | 111,1 g/mol |
| Monoisotopische Masse | 111,0320284 g/mol |
| SMILES | O=c1ccccn1O |
| InChIKey | SNUSZUYTMHKCPM-UHFFFAOYSA-N |
| PubChem CID | 69975 |
| ChEMBL | CHEMBL3898657 |
| EC No. | 212-506-0 |
| DTXSID | DTXSID70231622 |
| Lokaler Name | 2-Hydroxypyridin-1-oxid |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 160 |
| Kosmetika | Hair dyeingFoam boosting |
| LogP (Verteilungskoeffizient) | -0.59 |
| Schmelzpunkt | 147-152 °C |
| Siedepunkt | 387.7±15.0 °C(Predicted) |
| Dichte | 1.111 |
| Dampfdruck | 0.223Pa at 25℃ |
| Brechungsindex | 1.388 |
| Flammpunkt | 100 °C |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)331g/L |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pK1:-0.62pK2:5.97(0) (25°C) |
| Farbe | Off-White to Light Yellow |
| BRN | 1422545 |
| InChI | 1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H |
| InChIKey | JVHZMYAXZUIZKS-UHFFFAOYSA-N |
| SMILES | Oc1cccc[n+]1[O-] |
| LogP (Verteilungskoeffizient) | -1.07 at 25℃ |
| CAS Datenbank | 13161-30-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pyridinol-1-oxide(13161-30-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 23% (23 of 100) of reports.WarningH315 (77%): 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 100 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20236Status: Active Update: 29-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/266172-Pyridinol, 1-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (97.1%)Skin Irrit. 2 (77%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-40 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Pyridinol 1-oxide can be used: To fabricate gold electrodes for the electrochemical determination of europium using cyclic voltammetry. To prepare polymeric nickel (II) complex of 2-hydroxypyridine-N-oxide. In the synthesis of 1-methoxypyrid-4-one in the presence of sodium methoxide and methyl toluene-9-sulphonate.