1-BROMO-2,4,6-TRIMETHOXYBENZENE

The Benzene, 2-bromo-1, 3, 5-trimethoxy-, with the CAS registry number of 1131-40-4, is also known as 2, 4, 6-Trimethoxybromobenzene. It belongs to the product category of Aromatic Ethers. Its EINECS registry number is 214-464-9. This chemical's molecular formula is C₉H₁₁BrO₃ and molecular weight is 247.09. What's more, its IUPAC name is 2-Bromo-1, 3, 5-trimethoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant. Besides, you should ensure the work place is well-ventilated.

Physical properties about Benzene, 2-bromo-1, 3, 5-trimethoxy- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.52; (6)ACD/BCF (pH 7.4): 29.52; (7)ACD/KOC (pH 5.5): 392.54; (8)ACD/KOC (pH 7.4): 392.54; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 53.97 cm³; (15)Surface Tension: 33.6 dyne/cm; (16)Density: 1.391 g/cm³; (17)Flash Point: 122 °C; (18)Enthalpy of Vaporization: 52.21 kJ/mol; (19)Boiling Point: 303.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00167 mmHg at 25 °C.

Preparation of Benzene, 2-bromo-1, 3, 5-trimethoxy-: this chemical is prepared by 1, 3, 5-Trimethoxy-benzene at ambient temperature. This reaction needs reagents 30 % H₂O₂, aq. HClO₄, KBr. Meanwhile, it needs catalyst Ammonium metavanadate and solvent Methanol. The reaction time is 24 hours. The yield is about 90 %.

Uses of Benzene, 2-bromo-1, 3, 5-trimethoxy-: it is used to produce other chemicals. For example, it is used to produce 2-Bromo-4-iodo-1, 3, 5-trimethoxybenzene at ambient temperature. This reaction needs reagents HgO and I₂. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 8 hours. The yield is about 89 %.

 

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(OC)cc(OC)cc1OC
(2) InChI: InChI=1/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3
(3) InChIKey: BPWYNWSOQOXOPI-UHFFFAOYAS