HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Pyridylmethanol
PYRIDIN-4-YLMETHANOL · 4-PYRIDINEMETHANOL · PYRIDINE-4-METHANOL · 4-Pyridine · γ-Picolyl alcohol · 4-PYRIDYLCARBINOL · 4-PYRIDYLMETHANOL · 4-PICOLYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 586-95-8 |
|---|---|
| Summenformel | C6H7NO |
| Durchschnittliche Molmasse | 109,13 g/mol |
| Monoisotopische Masse | 109,05276384 g/mol |
| SMILES | OCc1ccncc1 |
| InChIKey | PTMBWNZJOQBTBK-UHFFFAOYSA-N |
| PubChem CID | 11472 |
| ChEMBL | CHEMBL1235528 |
| EC No. | 209-590-6 |
| DTXSID | DTXSID90870638 |
| Lokaler Name | 4-Pyridylmethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 59,5 |
| LogP (Verteilungskoeffizient) | -0.04 |
| Schmelzpunkt | 52-56 °C (lit.) |
| Siedepunkt | 107-110 °C/1 mmHg (lit.) |
| Dichte | 1.1143 (rough estimate) |
| Brechungsindex | 1.5040 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 13.45±0.10(Predicted) |
| Aggregatzustand | Crystals, Crystalline Powder or Crystalline Mass |
| Farbe | White to yellow |
| Löslichkeit | soluble |
| BRN | 107850 |
| InChI | 1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2 |
| InChIKey | PTMBWNZJOQBTBK-UHFFFAOYSA-N |
| SMILES | OCc1ccncc1 |
| LogP (Verteilungskoeffizient) | 0.060 |
| CAS Datenbank | 586-95-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Pyridinemethanol(586-95-8) |
| EPA chemische Informationen | 4-Pyridinemethanol (586-95-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (86.7%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| RTECS-Nr. | UT4691000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT, HYGROSCOPIC, KEEP COLDEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Pyridylcarbinol can be used in the preparation of 4-pyridine carboxaldehyde.