(4-Ethylphenyl)boronic acid

C₈H₁₁BO₂CAS 63139-21-9149.98 g/mol

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Boronic acid

Properties

Molecular formula: C₈H₁₁BO₂
Molar mass: 149.98 g/mol
Exact mass: 150.0852 Da
Melting point: 108–111 °C
logP: -0.07Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed61.1% of notifiers
H315 Causes skin irritation44.4% of notifiers
H319 Causes serious eye irritation94.4% of notifiers
H335 May cause respiratory irritation38.9% of notifiers

Aggregated from 18 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

63139-21-9

SMILES

CCc1ccc(B(O)O)cc1

InChIKey

RZCPLOMUUCFPQA-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(4-ethylphenyl)-
Boronic acid, (4-ethylphenyl)-
Benzeneboronic acid, p-ethyl-
B-(4-Ethylphenyl)boronic acid
(p-Ethylphenyl)boronic acid
4-Ethylbenzeneboronic acid

Work with (4-Ethylphenyl)boronic 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-Propylphenyl)boronic acid134150-01-965 % similar 4-Butylphenylboronic acid145240-28-461 % similar 4-Pentylbenzeneboronic acid121219-12-359 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-459 % similar 3-Ethylphenylboronic acid90555-65-059 % similar 4-(Hydroxymethyl)benzeneboronic acid59016-93-258 % similar 1,4-Diethylbenzene105-05-557 % similar 1,4-Benzenediboronic acid4612-26-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethylphenylboronic acid100379-00-8 3,5-Dimethylphenylboronic acid172975-69-8 2,3-Dimethylphenylboronic acid183158-34-1 Phenylethane boronic acid34420-17-2 3,4-Dimethylphenylboronic acid55499-43-9 B-(2,4-Dimethylphenyl)boronic acid55499-44-0 (2,5-Dimethylphenyl)boronic acid85199-06-0 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-1

Elsewhere

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