2,4,6-Trimethoxybenzoic acid 98% supplier in China CAS NO.570-02-5

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1. Introduction of 2,4,6-Trimethoxybenzoic acid

2,4,6-Trimethoxybenzoic acid with the CAS register number of 570-02-5, can also be called as Benzoic acid, 2,4,6-trimethoxy- and the IUPAC name about this chemical is 2,4,6-trimethoxybenzoic acid. The molecular formula about this chemical is C₁₀H₁₂O₅ and the molecular weight is 212.20. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids and so on. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. When you are using it, please avoid contact with oxides. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

2. Basic Information of 2,4,6-Trimethoxybenzoic acid

1). Properties

Physical properties about 2,4,6-Trimethoxybenzoic acid are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): -0.47; (3)ACD/LogD (pH 7.4): -2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.52; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.99?2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 53.21 cm³; (14)Molar Volume: 173.9 cm³; (15)Polarizability: 21.09x10-24cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Enthalpy of Vaporization: 62.81 kJ/mol; (18)Boiling Point: 350.6 °C at 760 mmHg; (19)Vapour Pressure: 1.62E-05 mmHg at 25°C.

2). Descriptors of Structure

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(OC)cc(OC)cc1OC
(2)InChI: InChI=1/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: JATAKEDDMQNPOQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
(5)Std. InChIKey: JATAKEDDMQNPOQ-UHFFFAOYSA-N

 

3). uses

2,4,6-Trimethoxybenzoic acid can be used to produce 1-[1-(2,4,6-trimethoxy-benzoyl)-πperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one with 1-πperidin-4-yl-3,4-dihydro-1H-quinolin-2-one at ambient temperature. This reaction will need reagent Et3N, bis(2-oxo-3-oxazolydinyl)phosφnic chloride and solvent CH₂Cl₂ with reaction time of 1 hours. The yield is about 75%.