4-bromo-2,3-difluorophenol

• ChemBase ID: 18905
• Molecular Formular: C6H3BrF2O
• Molecular Mass: 208.9882264
• Monoisotopic Mass: 207.93353316
• SMILES: c1(c(c(c(cc1)Br)F)F)O
• Canonical SMILES: Oc1ccc(c(c1F)F)Br
• InChI: InChI=1S/C6H3BrF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
• InChIKey: JZAVCMMYGSROJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,3-difluorophenol
• IUPAC Traditional name: 4-bromo-2,3-difluorophenol
• Synonyms: 4-Bromo-2,3-difluorophenol; 4-Bromo-2,3-difluorophenol; 4-溴-2,3-二氟苯酚

Database IDs

• CAS Number: 144292-32-0
• EC Number: None
• MDL Number: MFCD08061907
• PubChem SID: 160982212
• PubChem CID: 10219942

CALCULATED PROPERTIES

• Acid pKa: 7.1644483
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.714611
• LogD (pH = 7.4): 2.2954223
• Log P: 2.723837
• Molar Refractivity: 36.0945 cm^3
• Polarizability: 13.612391 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%