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EINECS 209-719-6
CAS No. 591-50-4 Density 1.83 g/cm3
Solubility insoluble in water Melting Point -29 °C(lit.)
Formula C6H5I Boiling Point 188.329 °C at 760 mmHg
Molecular Weight 204.01 Flash Point 74.444 °C
Transport Information Appearance Clear yellow liquid
Safety 26-36 Risk Codes 22-36
Molecular Structure Molecular Structure of 591-50-4 (Iodobenzene) Hazard Symbols HarmfulXn, IrritantXi

Phenyl iodide;Benzene, iodo-;Iodinebenzol;Benzene,iodo-;Benzene iodide;


Iodobenzene Consensus Reports

Reported in EPA TSCA Inventory.

Iodobenzene Specification

The Iodobenzene is an organic compound with the formula C6H5I. The IUPAC name of this chemical is iodobenzene. With the CAS registry number 591-50-4, it is also named as phenyliodonium. The product's categories are Aromatic Halides (substituted); Organics; API Intermediates; Iodine Compounds; Pharmaceutical Intermediate; Aryl; C6; Halogenated Hydrocarbons. Besides, it is useful as a synthetic intermediate in organic chemistry.

Physical properties about Iodobenzene are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.325; (3)ACD/LogD (pH 7.4): 3.325; (4)ACD/BCF (pH 5.5): 198.31; (5)ACD/BCF (pH 7.4): 198.31; (6)ACD/KOC (pH 5.5): 1534.783; (7)ACD/KOC (pH 7.4): 1534.783; (8)Index of Refraction: 1.62; (9)Molar Refractivity: 39.16 cm3; (10)Molar Volume: 111.506 cm3; (11)Polarizability: 15.524×10-24cm3; (12)Surface Tension: 41.423 dyne/cm; (13)Density: 1.83 g/cm3; (14)Flash Point: 74.444 °C; (15)Enthalpy of Vaporization: 40.715 kJ/mol; (16)Boiling Point: 188.329 °C at 760 mmHg; (17)Vapour Pressure: 0.831 mmHg at 25°C.

Preparation: this chemical can be prepared in the laboratory from aniline via the Sandmeyer reaction. In the first step, the amine functional group is diazotized with hydrochloric acid and sodium nitrite. Potassium iodide is added to the resultant diazonium chloride, causing nitrogen gas to evolve. Any excess nitrite is hydrolyzed with a strong base; the mixture is acidified and the desired product is separated by steam distillation.

Uses of Iodobenzene: it can be used to produce biphenyl at temperature of 130 °C. It will need reagent triethylamine, t-butylmethylbenzyl sulfide, phenyl halide and solvent dimethylformamide with reaction time of 24 hours. The yield is about 96%.


When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)I
(2)InChI: InChI=1/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
(4)Std. InChI: InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H

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