4-Iodophenoxyacetic acid

The 4-Iodophenoxyacetic acid, with the CAS registry number 1878-94-0, is a kind of white to light yellow powder. Being sensitive to light, it is easily soluble in acetone, diethyl ether, alcohol, chloroform and benzene while insoluble in water, and it is incompatibilities with strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide. Besides, it is irritating to eyes, respiratory system and skin and then avoid contacting with skin and eyes. In addition, its product categories are including Pharmaceutical Raw Materials; Acetics acid and esters; C8; Carbonyl Compounds; Carboxylic Acids.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.47; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 52.03 cm³; (15)Molar Volume: 146.6 cm³; (16)Polarizability: 20.62 ×10^-24 cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.896 g/cm³; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 63.74 kJ/mol; (21)Boiling Point: 358.5 °C at 760 mmHg; (22)Vapour Pressure: 9.16E-06 mmHg at 25°C; (23)Exact Mass: 277.943987; (24)MonoIsotopic Mass: 277.943987; (25)Topological Polar Surface Area: 46.5; (26)Heavy Atom Count: 12; (27)Complexity: 152.

As to its usage, it is widely applied in many ways. It could be used as the growth promoting agent which could promote the metabolism in pigs to increase the fatness; It is also a kind of plant growth regulator which has the function of accelerate the cell division and differentiation. And this chemical could be prepared from the raw material of paraaminophenol.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1OCC(=O)O)I
(2)InChI: InChI=1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
(3)InChIKey: RKORKXFKXYYHAQ-UHFFFAOYSA-N