Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Iodoimidazole |
EINECS | -0 |
CAS No. | 71759-89-2 | Density | 2.336 g/cm3 |
PSA | 28.68000 | LogP | 1.01430 |
Solubility | N/A | Melting Point |
137-138 °C |
Formula | C3H3IN2 | Boiling Point | 348.468 °C at 760 mmHg |
Molecular Weight | 193.975 | Flash Point | 164.548 °C |
Transport Information | N/A | Appearance | White Solid |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Iodo-1H-imidazole;4(5)-Iodo-1(H)-Imidazole;1H-Imidazole,4-iodo- (9CI);4(5)-Iodoimidazole;4-Iodo-1H-imidazole; |
Article Data | 19 |
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