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571113

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
NACRES:
NA.22
PubChem Substance ID:
24880609
UNSPSC Code:
12352100
MDL number:
MFCD00269641
Assay:
97%
Form:
solid
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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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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)

Global Trade Item Number

SKUGTIN
571113-5G04061831821734
571113-1G04061825586465