Boronic acid,B,B'-[1,1'-biphenyl]-4,4'-diylbis- (4151-80-8)

The 4,4'-Biphenyldiboronic acid with the cas number 4151-80-8 is also called Boronic acid,B,B'-[1,1'-biphenyl]-4,4'-diylbis-. The systematic name is biphenyl-4,4'-diyldiboronic acid. Its molecular formula is C₁₂H₁₂B₂O₄. This chemical belongs to the following product categories: (1)Heterocyclic Compounds; (2)Aryl;Boronic acid; (3)Organoborons; (4)B (Classes of Boron Compounds); (5)Boronic Acids.

The properties of the chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 68.34; (6)ACD/BCF (pH 7.4): 59.86; (7)ACD/KOC (pH 5.5): 715.55; (8)ACD/KOC (pH 7.4): 626.8; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 64.53 cm³; (15)Molar Volume: 183.6 cm³; (16)Polarizability: 25.58×10^-24cm³; (17)Surface Tension: 59.5 dyne/cm; (18)Enthalpy of Vaporization: 81.67 kJ/mol; (19)Vapour Pressure: 4.69×10^-11 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact 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(cc1)c2ccc(cc2)B(O)O
(2)InChI: InChI=1/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
(3)InChIKey: SLHKDOGTVUCXKX-UHFFFAOYAW