4-IODOBENZAMIDE

The Benzamide, 4-iodo- is an organic compound with the formula C₇H₆INO. The IUPAC name of this chemical is 4-iodobenzamide. With the CAS registry number 3956-07-8, it is also named as Benzamide, p-iodo-. The product's classification code is Drug / Therapeutic Agent.

Physical properties about Benzamide, 4-iodo- are: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 1.99; (4)ACD/BCF (pH 5.5): 19.16; (5)ACD/BCF (pH 7.4): 19.16; (6)ACD/KOC (pH 5.5): 288.11; (7)ACD/KOC (pH 7.4): 288.11; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 48.09 cm³; (14)Molar Volume: 130.2 cm³; (15)Polarizability: 19.06×10^-24cm³; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.897 g/cm³; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 57.06 kJ/mol; (20)Boiling Point: 328.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000192 mmHg at 25°C.

Preparation: this chemical can be prepared by urea and 4-iodo-benzoic acid. This reaction will need reagent HCOOH. The reaction time is 2 hours with reaction temperature of 130 - 180 °C. The yield is about 48%.

Uses of Benzamide, 4-iodo-: it can be used to produce bis(4-carboxamido)phenyl diselenide at room temperature. It will need reagent Li₂Se₂ and solvent tetrahydrofuran, hexamethylphosphoric acid triamide with reaction time of 20 hours. The yield is about 32%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(I)cc1)N
(2)InChI: InChI=1/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
(3)InChIKey: XRNBLQCAFWFFPM-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
(5)Std. InChIKey: XRNBLQCAFWFFPM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	unreported	1gm/kg (1000mg/kg)		Pharmaceutical Chemistry Journal Vol. 28, Pg. 335, 1994.