pyridin-4-ol

• ChemBase ID: 53491
• Molecular Formular: C5H5NO
• Molecular Mass: 95.0993
• Monoisotopic Mass: 95.03711379
• SMILES: n1ccc(cc1)O
• Canonical SMILES: Oc1ccncc1
• InChI: InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
• InChIKey: GCNTZFIIOFTKIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-4-ol
• IUPAC Traditional name: 4-hydroxypyridine
• Synonyms: 4-Pyridinol; 4-Hydroxypyridine; Pyridin-4-ol; 4-Pyridinol; 4(1H)-Pyridone; 4-Hydroxypyridine; 4-羟基吡啶

Database IDs

• CAS Number: 626-64-2
• EC Number: 210-958-3
• MDL Number: MFCD00040458; MFCD00006419
• Beilstein Number: 105800
• PubChem SID: 162058254
• PubChem CID: 12290

CALCULATED PROPERTIES

• Acid pKa: 10.554548
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4499947
• LogD (pH = 7.4): 0.45168236
• Log P: 0.45200807
• Molar Refractivity: 25.882 cm^3
• Polarizability: 10.030609 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-148°C; 143-145; 143-145°C
• Boiling Point: 230-235°C/12mm

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: UU7701450
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%; 98%