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316296

Sigma-Aldrich

4-Bromo-2-fluorophenol

98%

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About This Item

Linear Formula:
BrC6H3(F)OH
CAS Number:
2105-94-4
Molecular Weight:
191.00
MDL number:
MFCD00011722
UNSPSC Code:
12352100
PubChem Substance ID:
24859004
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.566 (lit.)

bp

79 °C/7 mmHg (lit.)

density

1.744 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

SMILES string

Oc1ccc(Br)cc1F

InChI

1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChI key

RYVOZMPTISNBDB-UHFFFAOYSA-N

Application

4-Bromo-2-fluorophenol can be used as a starting material for the synthesis of:
  • 4-Bromo-2-fluoro-6-iodoanisole via iodination and methylation.
  • 2-Phenylpyran-4-ones for active cyclooxygenase-2 inhibitor evaluation.
  • 1,4-Disubstituted 3-cyano-2-pyridones.
  • Dicationic imidazolium-based compounds.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

210.2 °F - closed cup

Flash Point(C)

99 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCG6094
MKCD3105
MKCC8371
MKBX8052V
MKBW9387V

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Efficient and Reliable Iodination and O-Methylation of Fluorinated Phenols
Francke R, et al.
European Journal of Organic Chemistry, 2010(12), 2357-2362 (2010)
Synthesis and biological evaluation of 2-phenylpyran-4-ones: a new class of orally active cyclooxygenase-2 inhibitors
Caturla F, et al.
Journal of Medicinal Chemistry, 47(15), 3874-3886 (2004)
Discovery of 1, 4-disubstituted 3-cyano-2-pyridones: a new class of positive allosteric modulators of the metabotropic glutamate 2 receptor
Cid JM, et al.
Journal of Medicinal Chemistry, 55(5), 2388-2405 (2012)
Dicationic imidazolium-based ionic liquids and ionic liquid crystals with variously positioned fluoro substituents
Li X, et al.
Journal of Materials Chemistry, 19(43), 8232-8238 (2009)

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