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

C₁₄H₁₉BO₄CAS 480424-70-2262.11 g/mol

Open in Covalent MOL file

Boronic ester Ester

Properties

Molecular formula: C₁₄H₁₉BO₄
Molar mass: 262.11 g/mol
Exact mass: 262.1376 Da
logP: 1.91Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

480424-70-2

SMILES

CC(=O)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

InChIKey

KHBAJCWEQNVCSN-UHFFFAOYSA-N

InChI

InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3

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Names and synonyms

3 names

Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-acetate
Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, acetate
4-(4,4,5,5-Tetramethyl-1,3-dioxaboran-2-yl)phenyl acetate

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Similar compounds

Hydroquinone diacetate1205-91-058 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-158 % similar 4-Acetoxybenzeneboronic acid177490-82-357 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-756 % similar Bisphenol A diacetate10192-62-854 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-354 % similar 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide214360-60-854 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-0 3-Methoxycarbonylphenylboronic acid pinacol ester480425-35-2 Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate653589-95-8 Phenylacetic acid-4-boronic acid pinacol ester797755-07-8

Elsewhere

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