4-Bromoveratrole

The Benzene,4-bromo-1,2-dimethoxy-, with the CAS registry number 2859-78-1, is also known as 4-Bromoveratrole. It belongs to the product categories of Aromatic Ethers; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. Its EINECS number is 220-677-8. This chemical's molecular formula is C₈H₉BrO₂ and formula weight is 217.06. What's more, its IUPAC name is 4-bromo-1,2-dimethoxybenzene.

Physical properties of Benzene,4-bromo-1,2-dimethoxy- are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3.11; (3)ACD/BCF (pH 5.5): 135.32 ; (4)ACD/KOC (pH 5.5): 1167.47; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 18.46 Å²; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 47.3 cm³; (11)Molar Volume: 153.6 cm³; (12)Surface Tension: 34 dyne/cm; (13)Density: 1.412 g/cm³; (14)Flash Point: 109.4 °C; (15)Enthalpy of Vaporization: 47.31 kJ/mol; (16)Boiling Point: 255.5 °C at 760 mmHg; (17)Vapour Pressure: 0.026 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dimethoxy-benzene at 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 2 hours. The yield is about 100%.

Uses of Benzene,4-bromo-1,2-dimethoxy-: it can be used to produce 4-bromo-pyrocatechol by heating. It will need reagent BBr₃ and solvent CH₂Cl₂ with the reaction time of 20 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)Br)OC
(2)InChI: InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
(3)InChIKey: KBTMGSMZIKLAHN-UHFFFAOYSA-N