ChemicalBook--->CAS DataBase List--->870718-11-9

870718-11-9

870718-11-9 Structure

870718-11-9 Structure
IdentificationBack Directory
[Name]

3,5-DIFLUORO-4-FORMYLPHENYLBORONIC ACID
[CAS]

870718-11-9
[Synonyms]

Boronic acid, B-(3,5-difluoro-4-formylphenyl)-
3,5-Difluoro-4-formylphenylboronic acid(contains varying amounts of Anhydride)
[Molecular Formula]

C7H5BF2O3
[MDL Number]

MFCD07784344
[MOL File]

870718-11-9.mol
[Molecular Weight]

185.92
Chemical PropertiesBack Directory
[Melting point ]

255-260 °C
[Boiling point ]

342.1±52.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

5.21±0.11(Predicted)
[color ]

White
[InChI]

1S/C7H5BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3,12-13H
[InChIKey]

XWZOKATWICIEMU-UHFFFAOYSA-N
[SMILES]

OB(O)c1cc(F)c(C=O)c(F)c1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2931900090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Preparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors
  • Preparation of boronate based D-glucose sensors
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIFLUORO-4-FORMYLPHENYLBORONIC ACID(870718-11-9)1HNMR
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