Isopropylboronic acid

C₃H₉BO₂CAS 80041-89-087.91 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₉BO₂
Molar mass: 87.91 g/mol
Exact mass: 88.0696 Da
logP: -0.13Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 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

80041-89-0

SMILES

B(C(C)C)(O)O

InChIKey

QIPHSSYCQCBJAX-UHFFFAOYSA-N

InChI

InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3

Weigh it out

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

Work with Isopropylboronic 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

Buntane-2-boronic acid88496-88-238 % similar Cyclopropylboronic acid411235-57-933 % similar Cyclopentylboronic acid63076-51-730 % similar Cyclobutylboronic acid849052-26-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

B-Propylboronic acid17745-45-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook