HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Pyridylmethanol
PYRIDIN-3-YLMETHANOL · NICOTINYL ALCOHOL · 3-(HYDROXYMETHYL)PYRIDINE · 3-PYRIDYLCARBINOL · 3-PYRIDYLMETHANOL · NICOTINIC ALCOHOL · 3-Pyridinylmethanol · Pyridyl-3-methanol
Identifikatoren & physikalische Daten
| CAS No. | 100-55-0 |
|---|---|
| Summenformel | C6H7NO |
| Durchschnittliche Molmasse | 109,13 g/mol |
| Monoisotopische Masse | 109,05276384 g/mol |
| SMILES | OCc1cccnc1 |
| InChIKey | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| PubChem CID | 7510 |
| ChEMBL | CHEMBL1235535 |
| ChEBI | CHEBI:45213 |
| EC No. | 202-864-6 |
| DTXSID | DTXSID6023367 |
| Lokaler Name | 3-Pyridylmethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 65,5 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Kosmetika | Tonic |
| SpringerMaterials Properties | Chemical shift |
| Dampfdruck | 0.02 [mmHg]0.342Pa at 20℃ |
| Physical Description | Highly hygroscopic liquid[Merck Index] Clear light yellow to yellow hygroscopic liquid[Acros Organics MSDS] |
| Collision Cross Section | 119.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID6023367] |
| Schmelzpunkt | -7 °C |
| Siedepunkt | 154 °C/28 mmHg (lit.) |
| Dichte | 1.124 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.545(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | 1000mg/lsoluble |
| pKa (Säurekonstante) | 13.68±0.10(Predicted) |
| Aggregatzustand | liquid (clear) |
| Farbe | clear light yellow |
| pH | 7-8 (100g/l, H2O, 20℃) |
| Merck | 14,6527 |
| BRN | 107851 |
| Kosmetik-Inhaltsstoffe Funktionen | TONIC |
| InChI | 1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 |
| InChIKey | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| SMILES | OCc1cccnc1 |
| LogP (Verteilungskoeffizient) | -0.11 at 25℃ |
| Oberflächenspannung | 47.68 mN/m at 23° |
| CAS Datenbank | 100-55-0(CAS DataBase Reference) |
| NIST chemische Informationen | Nicotinyl Alcohol(100-55-0) |
| EPA chemische Informationen | 3-Pyridinemethanol (100-55-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.7%): 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 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/222233-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis[Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg[RTECS] An irritantHarmful by ingestion[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (91.7%) |
| F | 3-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| RTECS-Nr. | UT4690000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
3-Pyridinemethanol can be used as antineoplastic and used in the synthesis of histone deacetylase inhibitors.