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3,5-Dimethoxybenzoic Acid

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Name

3,5-Dimethoxybenzoic Acid

EINECS 214-473-8
CAS No. 1132-21-4 Density 1.214 g/cm3
PSA 55.76000 LogP 1.40200
Solubility N/A Melting Point 178-180 °C(lit.)
Formula C9H10O4 Boiling Point 340.7 °C at 760 mmHg
Molecular Weight 182.176 Flash Point 138.9 °C
Transport Information N/A Appearance almost white to light beige-pink cryst. powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1132-21-4 (3,5-Dimethoxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

3,5-Dimethoxybenzoicacid;NSC 43744;NSC 8514;Benzoic acid, 3,5-dimethoxy-;3,5-Dimethoxybenzoicacid;

Article Data 73

3,5-Dimethoxybenzoic Acid Specification

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

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