4-Bromo-4'-methoxybiphenyl

The 4-Bromo-4'-methoxybiphenyl, with CAS registry number 58743-83-2, belongs to the following product categories: (1)C13 to C14; (2)Carbonyl Compounds; (3)Ketones. It has the systematic name of 4'-bromobiphenyl-4-yl methyl ether. Besides this, it is also called 1,1'-biphenyl, 4-bromo-4'-methoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.7; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 2179.69; (6)ACD/BCF (pH 7.4): 2179.69; (7)ACD/KOC (pH 5.5): 8535.31; (8)ACD/KOC (pH 7.4): 8535.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 65.21 cm³; (15)Molar Volume: 194.9 cm³; (16)Polarizability: 25.85×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Enthalpy of Vaporization: 56.86 kJ/mol; (19)Vapour Pressure: 0.000106 mmHg at 25°C.

Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 4'-bromo-biphenyl-4-ol. This reaction will need reagent aq, NaOH. The reaction time is 3.5hour(s). The yield is about 89%.

Uses of 4-Bromo-4'-methoxybiphenyl: it can be used to produce 4-methoxy-4'-trifluoromethylbiphenyl. This reaction will need reagent copper powder and solvent dimethylformamide. The reaction time is 20 hour(s) with reaction temperature of 150 ℃. The yield is about 40%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1ccc(OC)cc1)cc2
(2)InChI: InChI=1/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
(3)InChIKey: CMYZTJCWFRFRIW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
(5)Std. InChIKey: CMYZTJCWFRFRIW-UHFFFAOYSA-N