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51446-31-2

51446-31-2 Structure

51446-31-2 Structure
IdentificationMore
[Name]

4-FLUORO-3-HYDROXYBENZOIC ACID
[CAS]

51446-31-2
[Synonyms]

4-FLUORO-3-HYDROXYBENZOIC ACID
BUTTPARK 34\01-10
TIMTEC-BB SBB008505
4-Fluor-3-hydroxybenzoesure
[EINECS(EC#)]

625-872-5
[Molecular Formula]

C7H5FO3
[MDL Number]

MFCD00269641
[Molecular Weight]

156.11
[MOL File]

51446-31-2.mol
Chemical PropertiesBack Directory
[Melting point ]

214-218 °C (lit.)
[Boiling point ]

324.0±27.0 °C(Predicted)
[density ]

1.492±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Powder or Crystalline Powder
[pka]

4.02±0.10(Predicted)
[color ]

White to pale brown
[BRN ]

2829723
[InChI]

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

QATKOZUHTGAWMG-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(F)c(O)c1
[CAS DataBase Reference]

51446-31-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

IRRITANT
[HS Code ]

2918290090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

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
Spectrum DetailBack Directory
[Spectrum Detail]

4-FLUORO-3-HYDROXYBENZOIC ACID(51446-31-2)1HNMR
4-FLUORO-3-HYDROXYBENZOIC ACID(51446-31-2)19FNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Fluoro-3-hydroxybenzoic acid, 98%(51446-31-2)
[Sigma Aldrich]

51446-31-2(sigmaaldrich)
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