3-Carboxyphenylboronic acid pinacol ester
Properties
- Molecular formula
- C13H17BO4
- Molar mass
- 248.09 g/mol
- Exact mass
- 248.1220 Da
- logP
- 1.68Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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
269409-73-6SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OInChIKey
OPWAPCOSDAFWFB-UHFFFAOYSA-NInChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Work with 3-Carboxyphenylboronic acid pinacol ester
Similar compounds
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide188665-74-968 % similar
3-Methoxycarbonylphenylboronic acid pinacol ester480425-35-264 % similar
4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-860 % similar
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-659 % similar
3-Carboxyphenylboronic acid25487-66-556 % similar
4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-253 % similar
3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide480424-93-952 % similar
Isophthalic acid121-91-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.