4-ETHOXYPHENYLBORONIC ACID

The Boronic acid, B-(4-ethoxyphenyl)-, with the CAS registry number 22237-13-4, is also known as p-Ethoxybenzeneboronicacid. It belongs to the product categories of Blocks; Boronic Acids; Alkoxy; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C₈H₁₁BO₃ and molecular weight is 165.98. What's more, its systematic name is (4-ethoxyphenyl)boronic acid. It should be sealed and stored in a cool and dry place. It is used as a pharmaceutical intermediate and organic reagent.

Physical properties of Boronic acid, B-(4-ethoxyphenyl)- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.76; (6)ACD/BCF (pH 7.4): 20.24; (7)ACD/KOC (pH 5.5): 305.1; (8)ACD/KOC (pH 7.4): 297.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.28 cm³; (15)Molar Volume: 146 cm³; (16)Polarizability: 17.55×10^-24cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 59.02 kJ/mol; (21)Boiling Point: 317.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00016 mmHg at 25°C.

Uses of Boronic acid, B-(4-ethoxyphenyl)-: it can be used to produce 4-ethoxy-phenol at the temperature of 20 °C. It will need reagent H₂O₂ and solvent H₂O. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)B(O)O)CC
(2)Std. InChI: InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
(3)Std. InChIKey: WRQNDLDUNQMTCL-UHFFFAOYSA-N