TETRAIODOPHTHALIC ANHYDRIDE

The 1,3-Isobenzofurandione,4,5,6,7-tetraiodo-, with the CAS registry number 632-80-4, is also known as Phthalic anhydride, tetraiodo-. This chemical's molecular formula is C₈I₄O₃ and molecular weight is 651.7017. What's more, both its IUPAC name and systematic name are the same which is 4,5,6,7-Tetraiodo-2-benzofuran-1,3-dione.

Physical properties about this chemical are: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1257.15; (6)ACD/BCF (pH 7.4): 1257.15; (7)ACD/KOC (pH 5.5): 5756.25; (8)ACD/KOC (pH 7.4): 5756.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.878; (14)Molar Refractivity: 87.3 cm³; (15)Molar Volume: 190.8 cm³; (16)Polarizability: 34.61×10^-24 cm³; (17)Surface Tension: 84.6 dyne/cm; (18)Density: 3.414 g/cm³; (19)Flash Point: 307.1 °C; (20)Enthalpy of Vaporization: 87.3 kJ/mol; (21)Boiling Point: 584.2 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-13 mmHg at 25 °C.

Preparation of 1,3-Isobenzofurandione,4,5,6,7-tetraiodo-: this chemical can be prepared by Phthalic acid anhydride. This reaction needs reagents Fuming sulfuric acid and Iodine.

Use of 1,3-Isobenzofurandione,4,5,6,7-tetraiodo-: it is used to produce other chemicals. For example, it is used to produce 4,5,6,7-Tetraiodo-2-(1H-pyridin-4-ylidene)-indan-1,3-dione. This reaction will occur at temperature of 153 °C for 5 hours. The yield is 41.8%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)c2c1c(I)c(I)c(I)c2I
(2) InChI: InChI=1/C8I4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
(3) InChIKey: UHIMKEGZFOQVHV-UHFFFAOYAX