2-(2,3-difluorophenyl)ethan-1-ol

• ChemBase ID: 97059
• Molecular Formular: C8H8F2O
• Molecular Mass: 158.1453264
• Monoisotopic Mass: 158.05432132
• SMILES: OCCc1c(c(ccc1)F)F
• Canonical SMILES: OCCc1cccc(c1F)F
• InChI: InChI=1S/C8H8F2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
• InChIKey: RBNNHALDGIKSBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-difluorophenyl)ethan-1-ol
• IUPAC Traditional name: 2-(2,3-difluorophenyl)ethanol
• Synonyms: 2-(2,3-Difluorophenyl)ethanol; 2-(2,3-Difluorophenyl)ethan-1-ol; 2,3-Difluorophenethyl alcohol 97%; 2,3-Difluorophenethyl alcohol; 2-(2,3-Difluorophenyl)ethanol; 2-(2,3-difluorophenyl)ethan-1-ol; 2-(2,3-二氟苯基)乙醇, JRD

Database IDs

• CAS Number: 126163-30-2
• MDL Number: MFCD01862011
• PubChem SID: 162083686
• PubChem CID: 2774207

CALCULATED PROPERTIES

• Acid pKa: 15.710773
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7799611
• LogD (pH = 7.4): 1.7799611
• Log P: 1.7799611
• Molar Refractivity: 38.0617 cm^3
• Polarizability: 13.988516 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112-114°C/15mm
• Refractive Index: 1.4912
• Hydrophobicity(logP): 1.549

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 95%; 95+%; 97%