4-Tolylboronic acid is an organoboron compound with important chemical applications. It could be utilized as an important intermediate in organic synthesis, used in the synthesis/preparation of organic/chemical reagents such as drugs, pesticides, and cosmetics, as well as in the research of coordination chemistry and materials science. Due to its high chemical reactivity, 4-Tolylboronic acid has become a extensively used reagent in organic synthesis.

Physicochemical Properties

Molecular Formula	C7H9BO2
Molecular Weight	135.96
Exact Mass	136.069
CAS #	5720-05-8
PubChem CID	79799
Appearance	Off-white to light yellow solid powder
Density	1.1±0.1 g/cm3
Boiling Point	275.2±33.0 °C at 760 mmHg
Melting Point	256-263 °C(lit.)
Flash Point	120.2±25.4 °C
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.528
LogP	2.05
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Complexity	97.8
Defined Atom Stereocenter Count	0
SMILES	O([H])B(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])O[H]
InChi Key	BIWQNIMLAISTBV-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
Chemical Name	(4-methylphenyl)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

4-Tolueneboronic acid is a biochemical reagent that can be utilized in studies pertaining to life sciences as an organic substance or biological material.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (735.51 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.39 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 (18.39 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 (18.39 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	7.3551 mL	36.7755 mL	73.5510 mL
	5 mM	1.4710 mL	7.3551 mL	14.7102 mL
	10 mM	0.7355 mL	3.6776 mL	7.3551 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.