4-BROMO-2,6-DIMETHYLANISOLE

The Benzene,5-bromo-2-methoxy-1,3-dimethyl-, with the CAS registry number 14804-38-7, is also known as 2,6-Dimethyl-4-bromoanisole. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C₉H₁₁BrO and formula weight is 215.087. What's more, its IUPAC name is 5-bromo-2-methoxy-1,3-dimethylbenzene. 

Physical properties of Benzene,5-bromo-2-methoxy-1,3-dimethyl- are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 50.27 cm³; (9)Molar Volume: 162.1 cm³; (10)Surface Tension: 33.3 dyne/cm; (11)Density: 1.326 g/cm³; (12)Flash Point: 107.7 °C; (13)Enthalpy of Vaporization: 46 kJ/mol; (14)Boiling Point: 242.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0528 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dimethyl-anisole with the temperature of 25°C. This reaction will need reagent NaClO₂, NaBr, Mn(acac)₃, moist kaolin and solvent CH₂Cl₂ with the reaction time of 1 hour. The yield is about 100%.

Uses of Benzene,5-bromo-2-methoxy-1,3-dimethyl-: it can be used to produce 4'-methoxy-3',5'-dimethyl-biphenyl-4-carbonitrile with the catalyst Pd(Ph₃)₄ at the temperature of 80 - 85°C. It will need reagent Na₂CO₃ and solvent toluene with the reaction time of 12 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1OC)C)Br
(2)InChI: InChI=1S/C9H11BrO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3
(3)InChIKey: MMARFGDTMJBIBK-UHFFFAOYSA-N