2-Bromo-5-chlorobenzoic acid

The Benzoicacid, 2-bromo-5-chloro-, with the CAS registry number 21739-93-5, is also known as 6-Bromo-3-chlorobenzoic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Miscellaneous; Acids & Esters; Bromine Compounds; Chlorine Compounds; C7; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 244-559-0. This chemical's molecular formula is C₇H₄BrClO₂ and molecular weight is 235.46246. Its IUPAC name is called 2-bromo-5-chlorobenzoic acid. What's more, this chemical is white to light yellow crystal powder. The product should be sealed and stored in cool and dry place.

Physical properties of Benzoicacid, 2-bromo-5-chloro-: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): -0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.91; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 45.76 cm³; (13)Molar Volume: 130 cm³; (14)Surface Tension: 55.9 dyne/cm; (15)Density: 1.809 g/cm³; (16)Flash Point: 146.6 °C; (17)Enthalpy of Vaporization: 59.15 kJ/mol; (18)Boiling Point: 318.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000148 mmHg at 25°C.

Preparation Benzoicacid, 2-bromo-5-chloro-: this chemical can be prepared by 1-bromo-4-chloro-benzene and carbon dioxide. This reaction will need reagent lithium diisopropylamide and solvent tetrahydrofuran. The reaction temperature is -100 °C. The yield is about 20%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful if swallowed. In addition, it is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)O)Br
(2)InChI: InChI=1S/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: RBCPJQQJBAQSOU-UHFFFAOYSA-N