4-VINYLPHENYLBORONIC ACID

The 4-Vinylphenylboronic acid, with the CAS registry number 2156-04-9, is also known as (p-Vinylphenyl)boronic acid. It belongs to the product categories of Blocks; BoronicAcids; Substituted Boronic Acids; Boronic Acids; B (Classes of Boron Compounds); Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C₈H₉BO₂ and molecular weight is 147.97. What's more, its IUPAC name is called (4-Ethenylphenyl)boronic acid. It should be stored in a cool and well-ventilated place at 4 °C.

Physical properties about 4-Vinylphenylboronic acid are: (1)ACD/LogP: 1.881; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.81; (6)ACD/BCF (pH 7.4): 14.92; (7)ACD/KOC (pH 5.5): 251.06; (8)ACD/KOC (pH 7.4): 236.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 42.312 cm³; (15)Molar Volume: 134.969 cm³; (16)Polarizability: 16.774×10^-24cm³; (17)Surface Tension: 39.895 dyne/cm; (18)Density: 1.096 g/cm³; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 57.729 kJ/mol; (21)Boiling Point: 306.225 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of 4-Vinylphenylboronic acid: it is used to produce other chemicals. For example, it can react with 5-Bromo-3-tert-butyl-2-hydroxybenzaldehyde to get 5-tert-butyl-4-hydroxy-4'-vinyl-biphenyl-3-carbaldehyde. This reaction needs reagents Na₂CO₃, catalyst [Pd(PPh₃)₄] and solvent tetrahydrofuran at temperature of 70 °C. The reaction time is 3 hours.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc(\C=C)cc1
(2) InChI: InChI=1S/C8H9BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,10-11H,1H2
(3) InChIKey: QWMJEUJXWVZSAG-UHFFFAOYSA-N