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

C₁₃H₁₉BO₂CAS 195062-57-8218.10 g/mol

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Properties

Molecular formula: C₁₃H₁₉BO₂
Molar mass: 218.10 g/mol
Exact mass: 218.1478 Da
logP: 2.29Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

195062-57-8

SMILES

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

InChIKey

GKSSEDDAXXEPCP-UHFFFAOYSA-N

InChI

InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3

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Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene

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)99770-93-178 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-869 % similar Phenylboronic acid pinacol ester24388-23-663 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-462 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-362 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-362 % similar 2-(4-Bromo-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane68716-49-462 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-0 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-2 Benzylboronic acid pinacol ester87100-28-5

Elsewhere

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