4-Butylphenylboronic acid

C₁₀H₁₅BO₂CAS 145240-28-4178.04 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₁₀H₁₅BO₂
Molar mass: 178.04 g/mol
Exact mass: 178.1165 Da
logP: 0.71Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

145240-28-4

SMILES

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

InChIKey

UGZUUTHZEATQAM-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3

Weigh it out

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

Work with 4-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

4-Pentylbenzeneboronic acid121219-12-388 % similar B-(4-Nonylphenyl)boronic acid256383-45-685 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-579 % similar (4-Propylphenyl)boronic acid134150-01-977 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-469 % similar (4-Ethylphenyl)boronic acid63139-21-961 % similar B-(4-Butoxyphenyl)boronic acid105365-51-358 % similar (4-Pentyloxyphenyl)boronic acid146449-90-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-tert-Butylphenylboronic acid123324-71-0 (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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