2,4-dibromo-6-fluorophenol

• ChemBase ID: 99198
• Molecular Formular: C6H3Br2FO
• Molecular Mass: 269.8938232
• Monoisotopic Mass: 267.85346694
• SMILES: Oc1c(cc(cc1F)Br)Br
• Canonical SMILES: Brc1cc(F)c(c(c1)Br)O
• InChI: InChI=1S/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
• InChIKey: XJDJZAUITWTZAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-fluorophenol
• IUPAC Traditional name: 2,4-dibromo-6-fluorophenol
• Synonyms: 2,4-Dibromo-6-fluorophenol 97%; 2,4-Dibromo-6-fluorophenol; 2,4-二溴-6-氟苯酚

Database IDs

• CAS Number: 576-86-3
• MDL Number: MFCD00042233
• PubChem SID: 162085488
• PubChem CID: 2773980

CALCULATED PROPERTIES

• Acid pKa: 6.6944017
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3232222
• LogD (pH = 7.4): 2.584949
• Log P: 3.3498876
• Molar Refractivity: 43.5009 cm^3
• Polarizability: 16.869276 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-33°C; 35-37°C

Safety Information

• Storage Warning: Irritant/Corrosive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 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%