4-Hydroxy-3-iodobenzoic acid

The 4-Hydroxy-3-iodobenzoic acid, with the CAS registry number 37470-46-5, is also known as 2-Iodo-4-carboxyphenol. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₇H₅IO₃ and molecular weight is 264.02. What's more, both its IUPAC name and systematic name are the same which is called 4-hydroxy-3-iodobenzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/BCF (pH 5.5): 2.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 47.97 cm³; (14)Molar Volume: 122.4 cm³; (15)Polarizability: 19.01×10^-24 cm³; (16)Surface Tension: 74.6 dyne/cm; (17)Density: 2.155 g/cm³; (18)Flash Point: 153.4 °C; (19)Enthalpy of Vaporization: 60.44 kJ/mol; (20)Boiling Point: 330 °C at 760 mmHg; (21)Vapour Pressure: 6.86E-05 mmHg at 25 °C.

Preparation of 4-Hydroxy-3-iodobenzoic acid: this chemical can be prepared by 4-Hydroxy-benzoic acid.

This reaction needs reagents I₂, HIO₃ and solvent Acetic acid. The yield is 75 %.

Uses of 4-Hydroxy-3-iodobenzoic acid: it is used to produce other chemicals. For example, it can react with 1-Piperidin-4-yl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; hydrochloride to get 1-[1-(4-Hydroxy-3-iodo-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one.

The reaction needs reagents 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide HCl, N-Hydroxybenzotriazole, iPr2EtN and solvent Dimethylformamide. The yield is 71 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C(=O)O)ccc1O
(2) InChI: InChI=1/C7H5IO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
(3) InChIKey: BJZXBZGGLXHODK-UHFFFAOYAN