Dibenzofuran-4-boronic acid

C₁₂H₉BO₃CAS 100124-06-9212.01 g/mol

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Properties

Molecular formula: C₁₂H₉BO₃
Molar mass: 212.01 g/mol
Exact mass: 212.0645 Da
logP: 1.27Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

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

100124-06-9

SMILES

B(C1=C2C(=CC=C1)C3=CC=CC=C3O2)(O)O

InChIKey

ZXHUJRZYLRVVNP-UHFFFAOYSA-N

InChI

InChI=1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H

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Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100124-06-9. Each row opens the sheet with its composition and PDF.

Dibenzofuran-4-boronic acid ≤ 100 %Fisher Scientific · 2025-12-21

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Work with Dibenzofuran-4-boronic 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

B-(6-Phenyl-4-dibenzofuranyl)boronic acid1010068-85-561 % similar (3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic acid1271726-52-355 % similar 4-Dibenzofuranamine50548-43-155 % similar 4-Bromodibenzo[b,d]furan89827-45-252 % similar 1-Naphthylboronic acid13922-41-350 % similar Benzofuran-3-boronic acid317830-83-450 % similar 4-Iododibenzofuran65344-26-550 % similar 2-Chlorophenylboronic acid3900-89-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

B-1-Dibenzofuranylboronic acid162607-19-4 Dibenzo[B,D]furan-3-ylboronic acid395087-89-5 Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-6

Elsewhere

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