2-Methylpropylboronic acid

C4H11BO2CAS 84110-40-7101.94 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C4H11BO2
Molar mass
101.94 g/mol
Exact mass
102.0852 Da
Melting point
104 °C
logP
0.12Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 14 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
84110-40-7
SMILES
CC(C)CB(O)O
InChIKey
ZAZPDOYUCVFPOI-UHFFFAOYSA-N
InChI
InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Boronic acid, B-(2-methylpropyl)-
  • Boronic acid, (2-methylpropyl)-
  • 1-Propaneboronic acid, 2-methyl-
  • B-(2-Methylpropyl)boronic acid
  • Isobutylboric acid
  • Isobutyl boronic acid
  • (2-Methylpropyl)boronic acid

Work with 2-Methylpropylboronic 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

3-Methyl-1-butylboronic acid98139-72-152 % similar Ethylboronic acid4433-63-035 % similar Isobutanol78-83-135 % similar 2,4-Dimethylpentane108-08-733 % similar 2,5-Dimethylhexane592-13-233 % similar Isovaleramide541-46-832 % similar Isobutyl formate542-55-232 % similar 1-Bromo-3-methylbutane107-82-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butylboronic acid4426-47-5 Buntane-2-boronic acid88496-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook