HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyridin-3-ol
PYRIDIN-3-OL · 3-PYRIDINOL · 3-HP · 3-PYRIDOL · 3-PYRIDONE · 2(1H)-PYRIDONE · pyridin-3(4H)-one · NSC 18470
Identifikatoren & physikalische Daten
| CAS No. | 109-00-2 |
|---|---|
| Summenformel | C5H5NO |
| Durchschnittliche Molmasse | 95,1 g/mol |
| Monoisotopische Masse | 95,03711378 g/mol |
| SMILES | Oc1cccnc1 |
| InChIKey | GRFNBEZIAWKNCO-UHFFFAOYSA-N |
| PubChem CID | 7971 |
| ChEMBL | CHEMBL237847 |
| ChEBI | CHEBI:87440 |
| EC No. | 203-637-4 |
| DTXSID | DTXSID1051563 |
| Lokaler Name | Pyridin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 56 |
| Stoffklassen | Nitrogen Compounds -> PyridinesIndustrial compound |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.48 |
| Dampfdruck | 0.55 [mmHg] |
| Physical Description | Light tan powder[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive2.76Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 117.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1051563] |
| Schmelzpunkt | 125-128 °C (lit.) |
| Siedepunkt | 280-281 °C(lit.) |
| Dichte | 1.1418 (rough estimate) |
| Brechungsindex | 1.5939 (estimate) |
| Flammpunkt | 173°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | 33g/l32.26g/L(20 ºC) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 4.79, 8.75(at 20℃) |
| Farbe | Beige to brown |
| pH | 6.0-6.5 (33g/l, H2O, 20℃) |
| BRN | 105699 |
| InChI | 1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H |
| InChIKey | GRFNBEZIAWKNCO-UHFFFAOYSA-N |
| SMILES | Oc1cccnc1 |
| LogP (Verteilungskoeffizient) | 0.480 |
| CAS Datenbank | 109-00-2(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Pyridinol(109-00-2) |
| EPA chemische Informationen | 3-Pyridinol (109-00-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.2% (3 of 58) of reports.WarningH315 (94.8%): 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 58 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-PyridinolStatus: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/197173-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes anticonvulsant effects in acute intraperitoneal studies of miceCauses altered sleep time and changes in motor activity in lethal-dose studies[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See 2-Hydroxypyridine. |
| Hazard Classes and Categories | Skin Irrit. 2 (94.8%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| RTECS-Nr. | UV1144050 |
| R-Sätze (R) | 36/37/38-40 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Hydroxypyridine (cas# 109-00-2) is a compound useful in organic synthesis.
Herstellung & Synthese
synthetische
3-hydroxypyridine was prepared by reacting furfurylamine with H2O2 in the presence of HCl, followed by hydrolysis. The optimal conditions were found as fellows: molar ratio of furfurylamine: HCl : H2O2 = 1 : 5 : 1.1, and H2O2 added dropwisely at 0-5 °C, and then refluxed at 100-105 °C for 0.5 h.