4-tert-Butylphenylboronic acid

C10H15BO2CAS 123324-71-0178.04 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C10H15BO2
Molar mass
178.04 g/mol
Exact mass
178.1165 Da
Melting point
160 °C
logP
0.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
123324-71-0
SMILES
CC(C)(C)c1ccc(B(O)O)cc1
InChIKey
MNJYZNVROSZZQC-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Boronic acid, B-[4-(1,1-dimethylethyl)phenyl]-
  • Boronic acid, [4-(1,1-dimethylethyl)phenyl]-
  • B-[4-(1,1-Dimethylethyl)phenyl]boronic acid
  • (p-tert-Butylphenyl)boronic acid
  • 4-tert-Butylbenzeneboronic acid
  • p-tert-Butylbenzeneboronic acid
  • 4-t-Butylbenzeneboronic acid
  • [4-(1,1-Dimethylethyl)phenyl]boronic acid
  • 4-t-Butylphenylboronic acid

Work with 4-tert-Butylphenylboronic 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

3,5-Di-T-butylphenylboronic acid197223-39-562 % similar 1,4-Di-tert-butylbenzene1012-72-257 % similar 1,4-Benzenediboronic acid4612-26-457 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-456 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-850 % similar 4,4'-Biphenyldiboronic acid4151-80-850 % similar Tolylboronic acid5720-05-850 % similar 4-tert-Butylphenol98-54-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Butylphenylboronic acid145240-28-4 (4-Isobutylphenyl)boronic acid153624-38-5 2,3,5,6-Tetramethylphenylboronic acid197223-36-2 (3-tert-Butylphenyl)boronic acid560132-24-3

Elsewhere

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