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

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1,3-phenyldiboronic acid, bis(pinacol) ester structure
Structural Feature
Phenylene diboronate
Reactive Feature
Bifunctional boronate Pinacol boronate ester
Synthesis Role
Polymer monomer precursor Suzuki coupling reagent
Application Context
OLED material intermediate Optoelectronic materials
CAS Number196212-27-8
EC/List No.691-533-3
Molecular FormulaC18H28B2O4
Molecular Weight330.00 g/mol
AppearanceWhite powder
Melting Point133.0 to 137.0 °C
SMILESCC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C
InChIKeyLLQQCDJVSYEQQQ-UHFFFAOYSA-N
Description1,3-Benzenediboronic acid bis(pinacol) ester, a bifunctional Suzuki coupling substrate. Reacts with two aryl halides to construct 1,3-phenylene-bridged structures for OLED and polymer synthesis.
ApplicationsBifunctional Suzuki coupling substrate; OLED material synthesis; polymer crosslinker
Hazard ClassSkin Irrit. 2; Eye Irrit. 2; STOT SE 3 (Resp)
Hazard StatementsH315; H319; H335
Precautionary StatementsP261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501

Calculated / Predicted Properties

Estimated Boiling Point430.9 °C (predicted)
Estimated Density1.03 g/cm³ (predicted)