4-Hydroxyphenylboronic acid pinacol ester

C₁₂H₁₇BO₃CAS 269409-70-3220.08 g/mol

Open in Covalent MOL file

Boronic ester Phenol

Properties

Molecular formula: C₁₂H₁₇BO₃
Molar mass: 220.08 g/mol
Exact mass: 220.1271 Da
logP: 1.69Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation94.3% of notifiers
H319 Causes serious eye irritation94.3% of notifiers
H335 May cause respiratory irritation92.5% of notifiers

Aggregated from 53 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

269409-70-3

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O

InChIKey

BICZJRAGTCRORZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3

Weigh it out

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

Names and synonyms

1 names

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Work with 4-Hydroxyphenylboronic acid pinacol ester

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

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-175 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-867 % similar 2-(4-Bromo-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane68716-49-466 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-862 % similar Phenylboronic acid pinacol ester24388-23-661 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-460 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-360 % similar 4-(Hydroxymethyl)benzeneboronic acid pinacol ester302348-51-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-6 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-4

Elsewhere

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