4-Iodoimidazole

The 4(5)-Iodo-1(H)-Imidazole with CAS registry number of 71759-89-2 is also called 1H-Imidazole,5-iodo-. The IUPAC name is 5-iodo-1H-imidazole. In addition, the molecular formula is C₃H₃IN₂ and the molecular weight is 193.97. It is a kind of white solid and belongs to the classes of Iodides; Halides; Imidazoles & Benzimidazoles; Imidazol&Benzimidazole; Miscellaneous; Miscellaneous Reagents; Imidaxoles; Imidazoles & Benzimidazoles.

Physical properties about this chemical are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 0.942; (3)ACD/LogD (pH 7.4): 1.044; (4)ACD/BCF (pH 5.5): 2.89; (5)ACD/BCF (pH 7.4): 3.658; (6)ACD/KOC (pH 5.5): 69.509; (7)ACD/KOC (pH 7.4): 87.97; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å²; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 31.684 cm³; (13)Molar Volume: 83.052 cm³; (14)Polarizability: 12.561 ×10^-24cm³; (15)Surface Tension: 65.904 dyne/cm; (16)Density: 2.336 g/cm³; (17)Flash Point: 164.548 °C; (18)Enthalpy of Vaporization: 56.943 kJ/mol; (19)Boiling Point: 348.468 °C at 760 mmHg.

Preparation of 4(5)-Iodo-1(H)-Imidazole: it can be prepared by 4,5-diiodo-1H-imidazole. This reaction will need reagent Na₂SO₃ and solvent aq.ethanol. The yield is about 75% by heating.

Uses of 4(5)-Iodo-1(H)-Imidazole: it can react with chloro-triphenyl-methane to get 4-Iodo-1-tritylimidazole. This reaction will need reagent triethylamine and solvent dimethylformamide. The yield is about 95% with ambient temperature.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc[nH]1)I
(2)InChI: InChI=1/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
(3)InChIKey: BHCMXJKPZOPRNN-UHFFFAOYAP