3,5-DICHLORO-2-METHOXYBENZOIC ACID

The Benzoic acid,3,5-dichloro-2-methoxy-, with the CAS registry number 22775-37-7, is also known as 2-Methoxy-3,5-dichlorobenzoic acid. Its EINECS number is 245-213-1 and its systematic name is 3,5-Dichloro-2-methoxybenzoic acid. This chemical's molecular formula is C₈H₆Cl₂O₃ and molecular weight is 221.04. What's more, it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Physical properties of Benzoic acid,3,5-dichloro-2-methoxy- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 2.33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.02; (8)ACD/KOC (pH 7.4): 1.64; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 49.65 cm³; (15)Molar Volume: 149.8 cm³; (16)Polarizability: 19.68×10^-24 cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.474 g/cm³; (19)Flash Point: 155.3 °C; (20)Enthalpy of Vaporization: 60.81 kJ/mol; (21)Boiling Point: 333.2 °C at 760 mmHg; (22)Vapour Pressure: 5.49E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dichloro-2-methoxy-benzoic acid methyl ester by heating. This reaction will need reagent KOH and solvent methanol. The yield is about 92.9%.

Uses of Benzoic acid,3,5-dichloro-2-methoxy-: it can be used to produce 3,5-dichloro-2-methoxy-benzoic acid methyl ester by heating. It will need reagent H₂SO₄ and after 6 hours' reaction, the yield is about 88%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)cc(c1OC)C(=O)O
(2)InChI: InChI=1S/C8H6Cl2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)
(3)InChIKey: AUVSCSCAPKFMEK-UHFFFAOYSA-N