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247564-73-4

247564-73-4 Structure

247564-73-4 Structure
IdentificationMore
[Name]

2,3,5-Trifluorophenylboronic acid
[CAS]

247564-73-4
[Synonyms]

2,3,6-TRIFLUOROBENZENEBORONIC ACID
2,3,6-TRIFLUOROPHENYLBORONIC ACID
RARECHEM AH PB 0120
[Molecular Formula]

C6H4BF3O2
[MDL Number]

MFCD01863167
[Molecular Weight]

175.9
[MOL File]

247564-73-4.mol
Chemical PropertiesBack Directory
[Melting point ]

221 °C (dec.) (lit.)
[Boiling point ]

269.3±50.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

6.26±0.58(Predicted)
[color ]

White to Almost white
[InChI]

1S/C6H4BF3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
[InChIKey]

IRMUMGKQAXLGHK-UHFFFAOYSA-N
[SMILES]

OB(O)c1cc(F)cc(F)c1F
[CAS DataBase Reference]

247564-73-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

3
[HS Code ]

2931900090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

Reactant involved in the synthesis of biologically active compounds:
  • Pyrazole-acids to be used as agonists of human orphan GPCR GPR109a
  • Bicyclic pyrazole carboxylic acid derivatives as a niacin receptor agonist
  • 5-Alkyl and 5-aryl-pyrazole-tetrazoles as agonists of human orphan GPCR GPR109a
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,5-Trifluorophenylboronic acid(247564-73-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

247564-73-4(sigmaaldrich)
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