2-Bromo-4-chlorobenzoic acid

The 2-Bromo-4-chlorobenzoic acid, with the CAS registry number 936-08-3, is also known as Benzoic acid, 2-bromo-4-chloro-. And the molecular formula of this chemical is C₇H₄BrClO₂. It belongs to the following product categories: Blocks; Bromides; Carboxes; Benzoic acid; Acids & Esters; Bromine Compounds; Chlorine Compounds; C7; Carbonyl Compounds; Carboxylic Acids; Benzoic acid series.

The physical properties of 2-Bromo-4-chlorobenzoic acid are as following: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 45.76 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 18.14×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.809 g/cm³; (19)Flash Point: 151.3 °C; (20)Enthalpy of Vaporization: 60.03 kJ/mol; (21)Boiling Point: 326.5 °C at 760 mmHg; (22)Vapour Pressure: 8.74E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and irritates eyes, respiratory system and skin. It is also very toxic to aquatic organisms, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid release to the environment. Refer to special instructions safety data sheet; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(Cl)cc1Br
(2)InChI: InChI=1/C7H4BrClO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: USMQLFCVCDEXAK-UHFFFAOYAO