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571113

Sigma-Aldrich

4-Fluoro-3-hydroxybenzoic acid

97%

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About This Item

Linear Formula:
FC6H3(OH)CO2H
CAS Number:
51446-31-2
Molecular Weight:
156.11
MDL number:
MFCD00269641
UNSPSC Code:
12352100
PubChem Substance ID:
24880609
NACRES:
NA.22

Assay

97%

form

solid

mp

214-218 °C (lit.)

SMILES string

OC(=O)c1ccc(F)c(O)c1

InChI

1S/C7H5FO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

InChI key

QATKOZUHTGAWMG-UHFFFAOYSA-N

Application

4-Fluoro-3-hydroxybenzoic acid may serve as a starting material in the synthesis of the following potent inhibitors of β-arylsulfotransferase IV (β-AST-IV):
  • 6-(2-(N-4-fluoro-3-hydroxybenzoylamino)ethylamino)purine via reaction with O-benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate(HBTU) and 6-((2-ammonium trifluroacetate)ethylamino)purine
  • 6-(12-(N-4-fluoro-3-hydroxybenzoylamino)dodecylamino)purine via reaction with O-benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate(HBTU) and 6-((12-ammonium trifluroacetate)dodecylamino)purine
  • 6-(12-(N-4-fluoro-3-hydroxybenzoylamino)dodecylamino)purine via reaction with O-benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate(HBTU) and 6-((12-ammonium trifluroacetate)dodecylamino)purine
  • 2-chloro-6-(12-(N-4-fluoro-3-hydroxybenzoylamino)dodecylamino)purine via reaction with O-benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate(HBTU) and 2-chloro-6-((12-ammonium trifluroacetate)dodecylamino)purine
  • 12-N-boc-1-N-(4-fluoro-3-hydroxybenzoyl)diaminododecane via reaction with O-benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate(HBTU) and N-boc-1,12-diaminododecane

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBF2780V
MKBG6519V
MKBF2780
MKBD7576V
05602CH

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"Rapid Discovery of Potent Sulfotransferase Inhibitors by Diversity-Oriented Reaction in Microplates Followed by in situ Screening"
Dr D,BM, et al.
Chembiochem, 5(6), 811-819 (2004)

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