ChemicalBook--->CAS DataBase List--->947533-94-0

947533-94-0

947533-94-0 Structure

947533-94-0 Structure
IdentificationBack Directory
[Name]

4-Methyl-3-trifluoromethyl-phenylboronic acid
[CAS]

947533-94-0
[Synonyms]

4-Methyl-3-trifluoromethyl-phenylboronic acid
Boronic acid, B-[4-methyl-3-(trifluoromethyl)phenyl]-
[Molecular Formula]

C8H8BF3O2
[MDL Number]

MFCD11042431
[MOL File]

947533-94-0.mol
[Molecular Weight]

203.95
Chemical PropertiesBack Directory
[Boiling point ]

275.8±50.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

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

solid
[pka]

7.81±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C8H8BF3O2/c1-5-2-3-6(9(13)14)4-7(5)8(10,11)12/h2-4,13-14H,1H3
[InChIKey]

LXQGVSGCAAPNEL-UHFFFAOYSA-N
[SMILES]

CC1=CC=C(B(O)O)C=C1C(F)(F)F
Safety DataBack Directory
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methyl-3-trifluoromethyl-phenylboronic acid(947533-94-0)1HNMR
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