[2-(1H-pyrazol-3-yl)phenyl]methanol

• ChemBase ID: 297315
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1ccc(c(c1)CO)c1cc[nH]n1
• Canonical SMILES: OCc1ccccc1c1cc[nH]n1
• InChI: InChI=1S/C10H10N2O/c13-7-8-3-1-2-4-9(8)10-5-6-11-12-10/h1-6,13H,7H2,(H,11,12)
• InChIKey: LHKAGCARUJWEAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-pyrazol-3-yl)phenyl]methanol
• IUPAC Traditional name: [2-(1H-pyrazol-3-yl)phenyl]methanol
• Synonyms: 3-(2-Methoxyphenyl)-1H-pyrazole; 3-(2-甲氧基苯基)-1H-吡唑

Database IDs

• CAS Number: 59843-63-9
• MDL Number: MFCD02091524
• PubChem SID: 180682846
• PubChem CID: 69430007

CALCULATED PROPERTIES

• Acid pKa: 14.589482
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5430105
• LogD (pH = 7.4): 1.5431539
• Log P: 1.5431557
• Molar Refractivity: 51.3255 cm^3
• Polarizability: 20.565928 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-84°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%