4-N-PROPOXYBROMOBENZENE

The Benzene,1-bromo-4-propoxy- is an organic compound with the formula C₉H₁₁BrO. The IUPAC name of this chemical is 1-bromo-4-propoxybenzene. With the CAS registry number 39969-56-7, it is also named as 4-Bromophenyl propyl ether. Besides, it is clear yellow liquid, which should be stored in a closed cool and dry place.

Physical properties about Benzene,1-bromo-4-propoxy- are: (1)ACD/LogP: 4.23; (2)ACD/LogD (pH 5.5): 4.23; (3)ACD/LogD (pH 7.4): 4.23; (4)ACD/BCF (pH 5.5): 962.35; (5)ACD/BCF (pH 7.4): 962.35; (6)ACD/KOC (pH 5.5): 4754.11; (7)ACD/KOC (pH 7.4): 4754.11; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23 Å²; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 49.88 cm³; (13)Molar Volume: 162.6 cm³; (14)Polarizability: 19.77×10^-24cm³; (15)Surface Tension: 34.4 dyne/cm; (16)Density: 1.322 g/cm³; (17)Flash Point: 108.8 °C; (18)Enthalpy of Vaporization: 46.36 kJ/mol; (19)Boiling Point: 246 °C at 760 mmHg; (20)Vapour Pressure: 0.0436 mmHg at 25°C.

Preparation: this chemical can be prepared by phenyl-propyl ether. This reaction will need reagent NaClO₂, NaBr, Mn(acac)₃, moist kaolin and solvent CH₂Cl₂. The reaction time is 160 min with reaction temperature of 25 °C. The yield is about 97%.

Uses of Benzene,1-bromo-4-propoxy-: it can be used to produce dimethyl-[5-(4-propoxy-phenyl)-pyridin-2-yl]-amine by heating. It will need reagent n-BuLi, zinc chloride*tetramethylethylenediamine complex and solvent hexane, tetrahydrofuran with reaction time of 30 min. The yield is about 39%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OCCC)cc1
(2)InChI: InChI=1/C9H11BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
(3)InChIKey: VVPARGBRVKRZJC-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H11BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
(5)Std. InChIKey: VVPARGBRVKRZJC-UHFFFAOYSA-N