3-BROMO-5-IODOBENZOIC ACID

This chemical is called Benzoic acid, 3-bromo-5-iodo-, and its systematic name is 3-bromo-5-iodobenzoic acid. With the molecular formula of C₇H₄BrIO₂, its molecular weight is 326.91. The CAS registry number of this chemical is 188815-32-9. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acids & Esters; Bromine Compounds; Iodine Compounds; C7; Carbonyl Compounds; Carboxylic Acids.

Other characteristics of the Benzoic acid, 3-bromo-5-iodo- can be summarised as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 5.57; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.95; (8)ACD/KOC (pH 7.4): 2.69; (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: 1.693; (14)Molar Refractivity: 53.77 cm³; (15)Molar Volume: 140.2 cm³; (16)Polarizability: 21.31×10^-24cm³; (17)Surface Tension: 63.2 dyne/cm; (18)Density: 2.331 g/cm³; (19)Flash Point: 186.8 °C; (20)Enthalpy of Vaporization: 66.87 kJ/mol; (21)Boiling Point: 385.2 °C at 760 mmHg; (22)Vapour Pressure: 1.27E-06 mmHg at 25°C.

Uses of this chemical: The (3-bromo-5-iodo-phenyl)-methanol could be obtained by the reactant of Benzoic acid, 3-bromo-5-iodo-. This reaction needs the reagent of BH₃, and the solvent of tetrahydrofuran. The yield is 94 %. This reaction should be taken for 12 hours at the temperature of 20°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Ic1cc(C(=O)O)cc(Br)c1
2.InChI: InChI=1/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
3.InChIKey: MKJBJYCBKXPQSY-UHFFFAOYAH