Ethylboronic acid

C₂H₇BO₂CAS 4433-63-073.89 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₂H₇BO₂
Molar mass: 73.89 g/mol
Exact mass: 74.0539 Da
logP: -0.52Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H228 Flammable solid15.4% of notifiers
H315 Causes skin irritation92.3% of notifiers
H319 Causes serious eye irritation92.3% of notifiers
H335 May cause respiratory irritation84.6% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

4433-63-0

SMILES

B(CC)(O)O

InChIKey

PAVZHTXVORCEHP-UHFFFAOYSA-N

InChI

InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3

Weigh it out

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

Work with Ethylboronic 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-Propylboronic acid17745-45-844 % similar Butylboronic acid4426-47-540 % similar Triethylborane97-94-940 % similar B-Pentylboronic acid4737-50-238 % similar Hexylboronic Acid (contains varying amounts of Anhydride)16343-08-136 % similar Decylboronic acid24464-63-936 % similar B-Octylboronic acid28741-08-436 % similar 2-Methylpropylboronic acid84110-40-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook