Butylboronic acid

C4H11BO2CAS 4426-47-5101.94 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
Density
1.02 g/mL
Melting point
94–96 °C
logP
0.26Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
4426-47-5
SMILES
CCCCB(O)O
InChIKey
QPKFVRWIISEVCW-UHFFFAOYSA-N
InChI
InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Boronic acid, B-butyl-
  • 1-Butaneboronic acid
  • Butaneboronic acid
  • Boronic acid, butyl-
  • B-Butylboronic acid
  • n-Butaneboronic acid
  • Butyldihydroxyborane
  • n-Butylboronic acid
  • 1-Butylboronic acid

Work with Butylboronic 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-Pentylboronic acid4737-50-283 % similar Hexylboronic Acid (contains varying amounts of Anhydride)16343-08-179 % similar Decylboronic acid24464-63-979 % similar B-Octylboronic acid28741-08-479 % similar B-Propylboronic acid17745-45-867 % similar Tributylborane122-56-553 % similar Pentane109-66-041 % similar Hexane110-54-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpropylboronic acid84110-40-7 Buntane-2-boronic acid88496-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook