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CAS No.: | 480996-05-2 |
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Name: | 4'-Bromo-4-biphenylboronic acid |
Molecular Structure: | |
Formula: | C12H10BBrO2 |
Molecular Weight: | 276.925 |
Synonyms: | Boronic acid, B-(4'-bromo[1,1'-biphenyl]-4-yl)-; |
EINECS: | 678-208-1 |
Density: | 1.53 g/cm3 |
Boiling Point: | 430.3 °C at 760 mmHg |
Flash Point: | 214 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 40.46000 |
LogP: | 1.79590 |
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The 4'-Bromo-4-biphenylboronic acid, with the CAS registry number of 480996-05-2, is also known as Boronic acid, B-(4'-bromo[1,1'-biphenyl]-4-yl)-. It belongs to the product categories of Boronicacid; Aryl; Boronic acid; Organoborons; B (Classes of Boron Compounds); Boronic Acids. Its molecular formula is C12H10BBrO2 and molecular weight is 276.92. What's more, its systematic name is (4'-Bromobiphenyl-4-yl)boronic acid.
Physical properties about the 4'-Bromo-4-biphenylboronic acid are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 65.71 cm3; (9)Molar Volume: 180.1 cm3; (10)Surface Tension: 56.9 dyne/cm; (11)Density: 1.53 g/cm3; (12)Flash Point: 214 °C; (13)Enthalpy of Vaporization: 72.28 kJ/mol; (14)Boiling Point: 430.3 °C at 760 mmHg; (15)Vapour Pressure: 3.61E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(c1ccc(B(O)O)cc1)cc2
(2) InChI: InChI=1/C12H10BBrO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
(3) InChIKey: HQAGDFJHKPSZHT-UHFFFAOYAC