3,5-Di-T-butylphenylboronic acid

C₁₄H₂₃BO₂CAS 197223-39-5234.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₃BO₂
Molar mass: 234.15 g/mol
Exact mass: 234.1791 Da
logP: 1.96Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

197223-39-5

SMILES

B(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)(O)O

InChIKey

RPCBIEHUQSGPNA-UHFFFAOYSA-N

InChI

InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3

Weigh it out

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

Names and synonyms

1 names

(3,5-Di-tert-butylphenyl)boronic acid

Work with 3,5-Di-T-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-tert-Butylphenyl)boronic acid560132-24-364 % similar 4-tert-Butylphenylboronic acid123324-71-062 % similar 1,3,5-Tri-tert-butylbenzene1460-02-257 % similar 3,5-Bis-trifluoromethylphenylboronic acid73852-19-456 % similar 3,5-Di-tert-butylphenol1138-52-950 % similar 3,5-Di-tert-butyltoluene15181-11-046 % similar 3,5-Dimethylphenylboronic acid172975-69-844 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook