4-Bromophenylboronic acid

The 4-Bromophenylboronic acid with CAS registry number of 5467-74-3 is also known as (4-Bromophenyl)boramethane-1,1-diol. The IUPAC name is (4-Bromophenyl)boronic acid. It belongs to product categories of Blocks; BoronicAcids; Bromides; Boric Acid; Substituted Boronic Acids; Aryl; Halogenated; Organoborons; B (Classes of Boron Compounds). Its EINECS registry number is 226-779-9. In addition, the formula is C₆H₆BBrO₂ and the molecular weight is 200.83. This chemical is a white to light yellow crystal powder and should be stored in sealed containers in cool and dry place at 0-6 °C.

Physical properties about 4-Bromophenylboronic acid are:  (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 36.62; (6)ACD/BCF (pH 7.4): 32.73; (7)ACD/KOC (pH 5.5): 457.85; (8)ACD/KOC (pH 7.4): 409.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46Ų; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 41 cm³; (15)Molar Volume: 120.1 cm³; (16)Polarizability: 16.25×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.67 g/cm³; (19)Flash Point: 144.3 °C; (20)Enthalpy of Vaporization: 58.72 kJ/mol; (21)Boiling Point: 315 °C at 760 mmHg; (22)Vapour Pressure: 0.00019 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1ccc(B(O)O)cc1
2. InChI: InChI=1/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
3. InChIKey: QBLFZIBJXUQVRF-UHFFFAOYAV
4. Std. InChI: InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
5. Std. InChIKey: QBLFZIBJXUQVRF-UHFFFAOYSA-N

The toxicity data is as follows: