1-(2-BROMOETHOXY)-2-METHYLBENZENE

The Benzene,1-(2-bromoethoxy)-2-methyl-, with the CAS registry number 18800-32-3, is also known as 2-Bromoethyl 2-methylphenyl ether. This chemical's molecular formula is C₉H₁₁BrO and molecular weight is 215.09. What's more, its IUPAC name is 1-(2-bromoethoxy)-2-methylbenzene.

Physical properties of Benzene,1-(2-bromoethoxy)-2-methyl- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 210.2; (6)ACD/BCF (pH 7.4): 210.2; (7)ACD/KOC (pH 5.5): 1600.1; (8)ACD/KOC (pH 7.4): 1600.1; (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: 1.541; (14)Molar Refractivity: 50.12 cm³; (15)Molar Volume: 159.3 cm³; (16)Polarizability: 19.86×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 101.2 °C; (20)Enthalpy of Vaporization: 47.3 kJ/mol; (21)Boiling Point: 255.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0261 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-phenol and 1,2-dibromo-ethane by heating. This reaction will need reagent aq. NaOH. The reaction time is 7.5 hours. The yield is about 59%.

Uses of Benzene,1-(2-bromoethoxy)-2-methyl-: it can be used to produce (1,1-difluoro-3-o-tolyloxy-propyl)-phosphonic acid diethyl ester. The yield is about 40%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCOc1ccccc1C
(2)Std. InChI: InChI=1S/C9H11BrO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,6-7H2,1H3
(3)Std. InChIKey: ABXRTJHEVCZIAG-UHFFFAOYSA-N