2,4-DIBROMOANISOLE

The Benzene,2,4-dibromo-1-methoxy-, with the CAS registry number 21702-84-1, is also known as 2,4-Dibromoanisole. It belongs to the product categories of Aromatic Ethers; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 244-536-5. This chemical's molecular formula is C₇H₆Br₂O and formula weight is 265.93. What's more, its IUPAC name is 2,4-dibromo-1-methoxybenzene. 

Physical properties of Benzene,2,4-dibromo-1-methoxy- are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/BCF (pH 5.5): 375.61; (5)ACD/KOC (pH 5.5): 2424.39; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 48.31 cm³; (11)Molar Volume: 145.8 cm³; (12)Surface Tension: 39.2 dyne/cm; (13)Density: 1.823 g/cm³; (14)Flash Point: 102.7 °C; (15)Enthalpy of Vaporization: 51.21 kJ/mol; (16)Boiling Point: 293.9 °C at 760 mmHg; (17)Vapour Pressure: 0.00295 mmHg at 25°C.

Preparation: this chemical can be prepared by methoxybenzene at the temperature of 70°C. This reaction will need reagent benzyltrimethylammonium tribromide (BTMA·Br₃), ZnCl₂ and solvent acetic acid with the reaction time of 2 hours. The yield is about 97%.

Uses of Benzene,2,4-dibromo-1-methoxy-: it can be used to produce 4-bromo-2-methyl-anisole at the temperature of 20°C. It will need reagent methyl lithium and various solvent(s). The yield is about 94%.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)Br)Br
(2)InChI: InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
(3)InChIKey: XGXUGXPKRBQINS-UHFFFAOYSA-N