DIMETHYL IODOTEREPHTHALATE

The 1,4-Benzenedicarboxylicacid, 2-iodo-, 1,4-dimethyl ester, with CAS registry number 165534-79-2, has the systematic name of dimethyl 2-iodobenzene-1,4-dicarboxylate. Besides this, it is also called Dimethyl iodoterephthalate. And the chemical formula of this chemical is C₁₀H₉IO₄.

Physical properties of 1,4-Benzenedicarboxylicacid, 2-iodo-, 1,4-dimethyl ester: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 132.12; (6)ACD/BCF (pH 7.4): 132.12; (7)ACD/KOC (pH 5.5): 1147.6; (8)ACD/KOC (pH 7.4): 1147.6; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 62.7 cm³; (15)Molar Volume: 187.2 cm³; (16)Polarizability: 24.85×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.708 g/cm³; (19)Flash Point: 166.7 °C; (20)Enthalpy of Vaporization: 59.67 kJ/mol; (21)Boiling Point: 352 °C at 760 mmHg; (22)Vapour Pressure: 3.97E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,4-Benzenedicarboxylicacid, 2-iodo-, 1,4-dimethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(OC)c1ccc(cc1I)C(=O)OC
(2)InChI: InChI=1/C10H9IO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
(3)InChIKey: GJVIVAYVYHUGOO-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H9IO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
(5)Std. InChIKey: GJVIVAYVYHUGOO-UHFFFAOYSA-N