2,4-Bis(trifluoromethyl)phenylboronic acid

C8H5BF6O2CAS 153254-09-2257.93 g/mol

Open in Covalent MOL file
HOBHOFFFFFF
Alkyl halideBoronic acid

Properties

Molecular formula
C8H5BF6O2
Molar mass
257.93 g/mol
Exact mass
258.0287 Da
logP
1.40Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
153254-09-2
SMILES
OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIKey
WLYPBMBWKYALCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Boronic acid, B-[2,4-bis(trifluoromethyl)phenyl]-
  • Boronic acid, [2,4-bis(trifluoromethyl)phenyl]-
  • B-[2,4-Bis(trifluoromethyl)phenyl]boronic acid
  • 2,4-Bis(trifluoromethyl)benzeneboronic acid
  • 2,4-Di(trifluoromethyl)benzeneboronic acid
  • [2′,4′-Bis(trifluoromethyl)phenyl]boronic acid
  • (2,4-Ditrifluoromethylphenyl)boronic acid

Work with 2,4-Bis(trifluoromethyl)phenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluoro-2-(trifluoromethyl)benzeneboronic acid182344-16-766 % similar 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-366 % similar [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid254993-59-464 % similar 2-Methyl-4-(trifluoromethyl)phenylboronic acid957034-45-664 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-761 % similar 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-959 % similar (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-358 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis-trifluoromethylphenylboronic acid73852-19-4

Elsewhere

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