Methylboronic acid

CH₅BO₂CAS 13061-96-659.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₅BO₂
Molar mass: 59.86 g/mol
Exact mass: 60.0383 Da
logP: -0.91Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

13061-96-6

SMILES

B(C)(O)O

InChIKey

KTMKRRPZPWUYKK-UHFFFAOYSA-N

InChI

InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3

Weigh it out

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

Work with Methylboronic 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook