Furan-2-boronic acid

C₄H₅BO₃CAS 13331-23-2111.89 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₄H₅BO₃
Molar mass: 111.89 g/mol
Exact mass: 112.0332 Da
logP: -1.04Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13331-23-2

SMILES

B(C1=CC=CO1)(O)O

InChIKey

PZJSZBJLOWMDRG-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BO3/c6-5(7)4-2-1-3-8-4/h1-3,6-7H

Weigh it out

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

Names and synonyms

1 names

2-Furanboronic acid

Work with Furan-2-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

2-Furanboronic acid pinacol ester374790-93-942 % similar Benzofuran-2-boronic acid98437-24-239 % similar 5-Methyl-2-furanboronic Acid62306-79-038 % similar Phenylboronic acid98-80-636 % similar 2-Methoxyfuran25414-22-636 % similar 2-Thienylboronic acid6165-68-036 % similar (2-Hydroxyphenyl)boronic acid89466-08-036 % similar Furfuryl alcohol98-00-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Furanboronic acid55552-70-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook