3,5-DICHLORO-2,6-DIMETHOXYBENZOIC ACID

The Benzoic acid,3,5-dichloro-2,6-dimethoxy-, with the CAS registry number 73219-91-7, has the systematic name of 3,5-dichloro-2,6-dimethoxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₉H₈Cl₂O₄.

The characteristics of Benzoic acid,3,5-dichloro-2,6-dimethoxy- are as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.02; (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: 1.561; (14)Molar Refractivity: 56.33 cm³; (15)Molar Volume: 173.8 cm³; (16)Polarizability: 22.33×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.443 g/cm³; (19)Flash Point: 172.9 °C; (20)Enthalpy of Vaporization: 64.17 kJ/mol; (21)Boiling Point: 362.3 °C at 760 mmHg; (22)Vapour Pressure: 6.98E-06 mmHg at 25°C. 

Uses of Benzoic acid,3,5-dichloro-2,6-dimethoxy-: It can react with 2,5-dimethoxy-1,3-dimethyl-benzene to produce 3,5-dichloro-2,3',6,6'-tetramethoxy-2',4'-dimethylbenzophenone. This reaction will need reagent (CF₃CO)₂O, and the menstruum 1,2-dichloro-ethane. The reaction time is 18 hours with heating, and the yield is about 50%. 

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 gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(Cl)c(OC)c(c1OC)C(=O)O
(2)InChI: InChI=1/C9H8Cl2O4/c1-14-7-4(10)3-5(11)8(15-2)6(7)9(12)13/h3H,1-2H3,(H,12,13)
(3)InChIKey: JPIAALCEQSLBKF-UHFFFAOYAN