4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C₁₈H₂₈B₂O₄CAS 196212-27-8330.04 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₁₈H₂₈B₂O₄
Molar mass: 330.04 g/mol
Exact mass: 330.2174 Da
logP: 2.28Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

196212-27-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)B3OC(C(O3)(C)C)(C)C

InChIKey

LLQQCDJVSYEQQQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3

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Names and synonyms

1 names

1,3-Phenyldiboronic acid, bis(pinacol) ester

Work with 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

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Similar compounds

4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-275 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-274 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-972 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-672 % similar 2-(3-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane594823-67-372 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-372 % similar Phenylboronic acid pinacol ester24388-23-672 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-570 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-1

Elsewhere

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