3,5-Dimethoxybenzoic acid

The 3,5-Dimethoxybenzoic Acid, with the CAS registry number 1132-21-4 and EINECS registry number 214-473-8, is a kind of almost white to light beige-pink crystal powder, and it belongs to the following product categories: Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Building Blocks for Dendrimers; Functional Materials; C9; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of this chemical is C₉H₁₀O₄. What's more, it is usually used as medicine intermediate.

The physical properties of 3,5-Dimethoxybenzoic Acid are as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.69; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 46.53 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 18.44×10^-24cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 138.9 °C; (20)Enthalpy of Vaporization: 61.66 kJ/mol; (21)Boiling Point: 340.7 °C at 760 mmHg; (22)Vapour Pressure: 3.28E-05 mmHg at 25°C.

Uses of 3,5-Dimethoxybenzoic Acid: It can react with methanol to produce 3,5-dimethoxy-benzoic acid methyl ester. This reaction will need reagent triphosgene, and the menstruum CH₂Cl₂. The reaction time is 2 hours with temperature of 40°C, and the yield is about 95%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and 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: O=C(O)c1cc(OC)cc(OC)c1
(2)InChI: InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: IWPZKOJSYQZABD-UHFFFAOYAJ