2-BROMO-4,5-DIMETHOXYPHENYLACETIC ACID

This chemical is called 2-Bromo-4,5-dimethoxyphenylacetic acid, and its CAS registry number is 4697-62-5. With the molecular formula of C₁₀H₁₁BrO₄, its molecular weight is 275.10. Additionally, its product categories are Aromatic Phenylacetic Acids and Derivatives.

Other characteristics of the 2-Bromo-4,5-dimethoxyphenylacetic acid can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 58.41 cm³; (15)Molar Volume: 181 cm³; (16)Polarizability: 23.15×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.519 g/cm³; (19)Flash Point: 181.8 °C; (20)Enthalpy of Vaporization: 65.91 kJ/mol; (21)Boiling Point: 377.1 °C at 760 mmHg; (22)Vapour Pressure: 2.34E-06 mmHg at 25°C.

Production method of this chemical: The 2-Bromo-4,5-dimethoxyphenylacetic acid could be obtained by the reactant of (3,4-dimethoxy-phenyl)-acetic acid. This reaction needs the reagent of bromine.

 

Uses of this chemical: The 2-Bromo-4,5-dimethoxyphenylacetic acid could react with methanol, and obtain the (2-bromo-4,5-dimethoxy-phenyl)-acetic acid methyl ester. This reaction needs the reagent of conc. H₂SO₄. The yield is 80 %. In addition, this reaction should be taken for 17 hours. The other condition is heating.

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

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1cc(OC)c(OC)cc1CC(=O)O
2.InChI: InChI=1/C10H11BrO4/c1-14-8-3-6(4-10(12)13)7(11)5-9(8)15-2/h3,5H,4H2,1-2H3,(H,12,13)
3.InChIKey: MDOLAGJKKZEHHW-UHFFFAOYAX