1-Bromo-3,4,5-trimethoxybenzene

The Benzene,5-bromo-1,2,3-trimethoxy-, with the CAS registry number 2675-79-8, is also known as 3,4,5-Trimethoxybromobenzene. It belongs to the product categories of Aromatic Ethers; Benzene series; Benzene derivates. Its EINECS number is 220-223-9. This chemical's molecular formula is C₉H₁₁BrO₃ and formula weight is 247.09. What's more, its IUPAC name is 5-bromo-1,2,3-trimethoxybenzene. 

Physical properties of Benzene,5-bromo-1,2,3-trimethoxy- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 99.1; (5)ACD/BCF (pH 7.4): 99.1; (6)ACD/KOC (pH 5.5): 934.11; (7)ACD/KOC (pH 7.4): 934.11; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 27.69 Å²; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 53.97 cm³; (14)Molar Volume: 177.6 cm³; (15)Surface Tension: 33.6 dyne/cm; (16) Density: 1.391 g/cm³; (17)Flash Point: 103.7 °C; (18)Enthalpy of Vaporization: 47.98 kJ/mol; (19)Boiling Point: 262.2 °C at 760 mmHg; (20)Vapour Pressure: 0.018 mmHg at 25°C.

Uses of Benzene,5-bromo-1,2,3-trimethoxy-: it can be used to produce (4-methoxy-phenyl)-(3,4,5-trimethoxy-phenyl)-amine at the temperature of 80°C. It will need reagent NaO-t-Bu, Pd(OAc)₂, DPEphos and solvent toluene with the reaction time of 18 hours. The yield is about 60%.

Preparation: this chemical can be prepared by 4-bromo-2,6-dimethoxy-phenol by heating. This reaction will need reagent aq. NaOH with the reaction time of 6 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitisation by skin contact. You should not breathe dust. When using it, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1OC)OC)Br
(2)InChI: InChI=1S/C9H11BrO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3
(3)InChIKey: XAOOZMATJDXDQJ-UHFFFAOYSA-N