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CAS No.: | 13369-82-9 |
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Name: | 4,5-Diiodo-1,2-dimethyl-1H-imidazole |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H6I2N2 |
Molecular Weight: | 347.9235 |
Synonyms: | 4,5-Diiodo-1,2-dimethyl-1H-imidazole |
Density: | 2.61 g/cm3 |
Boiling Point: | 367.3 °C at 760 mmHg |
Flash Point: | 175.9 °C |
PSA: | 17.82000 |
LogP: | 1.93770 |
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The 4,5-Diiodo-1,2-dimethyl-1H-imidazole, with the CAS registry number 13369-82-9, is also known as 1H-Imidazole, 4,5-diiodo-1,2-dimethyl-. This chemical's molecular formula is C5H6I2N2 and molecular weight is 347.92348. What's more, its IUPAC name and systematic name are the same which is called 4,5-Diiodo-1,2-dimethyl-1H-imidazole.
Physical properties about 4,5-Diiodo-1,2-dimethyl-1H-imidazole: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 38.68; (6)ACD/BCF (pH 7.4): 39.01; (7)ACD/KOC (pH 5.5): 475.22; (8)ACD/KOC (pH 7.4): 479.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 54.97 cm3; (15)Molar Volume: 133.2 cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 2.61 g/cm3; (18)Flash Point: 175.9 °C; (19)Enthalpy of Vaporization: 58.96 kJ/mol; (20)Boiling Point: 367.3 °C at 760 mmHg; (21)Vapour Pressure: 2.92E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1nc(n(c1I)C)C
(2) InChI: InChI=1/C5H6I2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3
(3) InChIKey: CWINQZIAZVITSO-UHFFFAOYAW