1,4-Phenylenediboronic acid is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research.

Physicochemical Properties

Molecular Formula	C6H8B2O4
Molecular Weight	165.75
Exact Mass	166.06
CAS #	4612-26-4
Related CAS #	676566-94-2
PubChem CID	230478
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	420.1±55.0 °C at 760 mmHg
Melting Point	>350 °C(lit.)
Flash Point	207.9±31.5 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.555
LogP	0.96
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Complexity	118
Defined Atom Stereocenter Count	0
SMILES	C1=C(C=CC(=C1)B(O)O)B(O)O
InChi Key	BODYVHJTUHHINQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H
Chemical Name	(4-boronophenyl)boronic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro

1,4-Phenylenediboronic acid is employed in Suzuki-Miyaura cross-coupling reactions, scholl cyclizations, and palladium-catalyzed sequential alkenylation and conjugate addition reactions. Additionally, it is employed in the production of derivatives of indolizide, including organic thin-film transistors, OLEDs, solution-processable coordination polymers, and F-fluorescence.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (603.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (15.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (15.08 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (15.08 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.0332 mL	30.1659 mL	60.3318 mL
	5 mM	1.2066 mL	6.0332 mL	12.0664 mL
	10 mM	0.6033 mL	3.0166 mL	6.0332 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.