4-BROMOPHENYL 2-CHLOROETHYL ETHER

The Benzene, 1-bromo-4-(2-chloroethoxy)-, with the CAS registry number 55162-34-0, is also known as 4-Bromophenyl 2-chloroethyl ether. It belongs to the product categories of Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. And its EINECS registry number is 259-507-2. This chemical's molecular formula is C₈H₈BrClO and molecular weight is 235.51. What's more, its IUPAC name is 1-Bromo-4-(2-chloroethoxy)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 1-bromo-4-(2-chloroethoxy)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 334.42; (6)ACD/BCF (pH 7.4): 334.42; (7)ACD/KOC (pH 5.5): 2230.97; (8)ACD/KOC (pH 7.4): 2230.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 50.1 cm³; (15)Molar Volume: 157.5 cm³; (16)Polarizability: 19.86×10^-24 cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.495 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 49.77 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00666 mmHg at 25 °C.

Preparation of Benzene, 1-bromo-4-(2-chloroethoxy)-: this chemical is prepared by (2-Chloro-ethoxy)-benzene. This reaction needs reagents NaClO₂, Mn(acac)₃, NaBr, H₂O, Al₂O₃. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 80 minutes with reaction temperature of 20 °C. The yield is about 93 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(OCCCl)cc1
(2) InChI: InChI=1/C8H8BrClO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6H2
(3) InChIKey: VRODDNARFBDTNM-UHFFFAOYAU