5-BROMO-2,4-DIHYDROXYBENZOIC ACID

The Benzoic acid,5-bromo-2,4-dihydroxy-, with the CAS registry number 7355-22-8 and EINECS registry number 230-881-9, has the systematic name and IUPAC name of 5-bromo-2,4-dihydroxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₇H₅BrO₄.

The characteristics of Benzoic acid,5-bromo-2,4-dihydroxy- are as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 44.63 cm³; (15)Molar Volume: 115 cm³; (16)Polarizability: 17.69×10^-24cm³; (17)Surface Tension: 85.7 dyne/cm; (18)Density: 2.026 g/cm³; (19)Flash Point: 217.9 °C; (20)Enthalpy of Vaporization: 73.06 kJ/mol; (21)Boiling Point: 436.7 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-08 mmHg at 25°C. 

Uses of Benzoic acid,5-bromo-2,4-dihydroxy-: It can react with 2,4-dihydroxy-benzoic acid to produce 3,5-dibromo-2,4-dihydroxy-benzoic acid. This reaction will need reagent Br₂, and the acetic acid. The reaction time is 5 hours with temperature of 25°C, and the yield is about 75%. 

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 protective clothing, 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: Brc1cc(c(O)cc1O)C(=O)O
(2)InChI: InChI=1/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)
(3)InChIKey: ZRBCISXJLHZOMS-UHFFFAOYAP