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681812-07-7

681812-07-7 Structure

681812-07-7 Structure
IdentificationBack Directory
[Name]

2,6-BIS(TRIFLUOROMETHYL)BENZENEBORONIC ACID
[CAS]

681812-07-7
[Synonyms]

2,6-DITRIFLUOROMETHYLPHENYL BORONIC ACID
2,6-BIS(TRIFLUOROMETHYL)PHENYLBORONIC ACID
2,6-BIS(TRIFLUOROMETHYL)BENZENEBORONIC ACID
Boronic acid, B-[2,6-bis(trifluoromethyl)phenyl]-
[Molecular Formula]

C8H5BF6O2
[MDL Number]

MFCD04039321
[MOL File]

681812-07-7.mol
[Molecular Weight]

257.93
Chemical PropertiesBack Directory
[Melting point ]

168-171
[Boiling point ]

258.3±50.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

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

solid
[pka]

7.69±0.58(Predicted)
[color ]

Slightly yellow
[Water Solubility ]

Insoluble in water.
[InChI]

1S/C8H5BF6O2/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16)17/h1-3,16-17H
[InChIKey]

WAMPGNNEOZGBHR-UHFFFAOYSA-N
[SMILES]

OB(O)c1c(cccc1C(F)(F)F)C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38-36
[Safety Statements ]

26-36/37/39
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2,6-Bis(trifluoromethyl)benzeneboronic acid is used as pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-BIS(TRIFLUOROMETHYL)BENZENEBORONIC ACID(681812-07-7)1HNMR
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