Benzene,1-bromo-3-(4-fluorophenoxy)- (50904-38-6)

The 3-Bromo-4'-fluorodiphenyl ether with the cas number 50904-38-6 is also called 3-Bromo-4'-Fluorodiphenyl. The systematic name is 1-bromo-3-(4-fluorophenoxy)benzene. This chemical belongs to the following product categories: (1)Anisoles, Alkyloxy Compounds & Phenylacetates; (2)Bromine Compounds; (3)Fluorine Compounds; (4)Ethers; (5)Organic Building Blocks; (6)Oxygen Compounds.

The properties of the chemical are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7513.55; (6)ACD/BCF (pH 7.4): 7513.55; (7)ACD/KOC (pH 5.5): 20697.64; (8)ACD/KOC (pH 7.4): 20697.64; (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: 1.584; (14)Molar Refractivity: 60.38 cm³; (15)Molar Volume: 180.4 cm³; (16)Polarizability: 23.93×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Enthalpy of Vaporization: 51.76 kJ/mol ; (19)Vapour Pressure: 0.00216 mmHg at 25°C.

Uses: This chemical can react with acrylic acid ethyl ester, to product 3-[3-(4-fluoro-phenoxy)-phenyl]-acrylic acid ethyl ester. This reaction needs reagent Et₃N, Pd(OAc)₂, tri-o-tolylphosphine and solvent acetonitrile at temperature of 100 °C. The reaction time is 5.0 hours. The yield is 84%.

When you are using this chemical, please be cautious about it as the following: (1)Harmful if swallowed; (2)Risk of serious damage to the eyes; (3)Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment; (4)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (5)Wear eye / face protection; (6)Avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(Oc1ccc(F)cc1)ccc2
(2)InChI: InChI=1/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H
(3)InChIKey: ADGMRCLDJLCOKF-UHFFFAOYAA