3,5-Bis-trifluoromethylphenylboronic acid

C₈H₅BF₆O₂CAS 73852-19-4257.93 g/mol

Open in Covalent MOL file

Alkyl halide Boronic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

73852-19-4

SMILES

B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O

InChIKey

BPTABBGLHGBJQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3,5-Bis(trifluoromethyl)benzeneboronic acid

Work with 3,5-Bis-trifluoromethylphenylboronic 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

3-Trifluoromethylphenylboronic acid1423-26-364 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-462 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,5-Di-T-butylphenylboronic acid197223-39-556 % similar 3,5-Bis(trifluoromethyl)phenol349-58-650 % similar 3,5-Bis(trifluoromethyl)phenylboronic acid pinacol ester69807-91-647 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-645 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook