4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane

C₁₃H₁₉BO₂CAS 195062-59-0218.10 g/mol

Open in Covalent MOL file

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

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 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, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

195062-59-0

SMILES

Cc1ccccc1B1OC(C)(C)C(C)(C)O1

InChIKey

NUFSJKMRPYGNHV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-methylphenyl)-
4,4,5,5-Tetramethyl-2-(2-methylphenyl)-1,3,2-dioxaborolane
2-(2-Methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(o-Methylphenyl)pinacolborane
2-Tolylboronic acid pinacol ester
2-Methylphenylboronic acid pinacol ester

Work with 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane

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-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-859 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-459 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-159 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-459 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-859 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-859 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-458 % similar 2-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-52-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-8 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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