3,5-DIIODOSALICYLALDEHYDE

The Benzaldehyde,2-hydroxy-3,5-diiodo-, with the CAS registry number 2631-77-8, is also known as 3,5-Diiodosalicylaldehyde and 3,5-Diiodo-2-hydroxybenzaldehyde. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). Its EINECS registry number is 220-117-2. This chemical's molecular formula is C₇H₄I₂O₂ and molecular weight is 373.91. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxy-3,5-diiodobenzaldehyde.It is pale yellow powder.

Physical properties about this chemical are: (1)ACD/LogP: 4.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 674.61; (6)ACD/BCF (pH 7.4): 42.53; (7)ACD/KOC (pH 5.5): 3469.89; (8)ACD/KOC (pH 7.4): 218.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.787; (14)Molar Refractivity: 60.7 cm³; (15)Molar Volume: 143.6 cm³; (16)Polarizability: 24.06×10^-24cm³; (17)Surface Tension: 72 dyne/cm; (18)Density: 2.602 g/cm³; (19)Flash Point: 138 °C; (20)Enthalpy of Vaporization: 56.67 kJ/mol; (21)Boiling Point: 304.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000481 mmHg at 25 °C.

Uses of Benzaldehyde,2-hydroxy-3,5-diiodo: it is used to produce other chemicals. For example, it is used to produce 6,8-Diiodo-2-oxo-2H-chromene-3-carboxylic acid ethyl ester.



The reaction occurs with reagents Malonic acid diethyl ester, Piperidine and Acetic acid. The reaction needs solvent Ethanol. The yield is 90 %. This reaction will occur on condition of heating for 24 hours.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C=O)c(O)c(I)c1
(2) InChI: InChI=1/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
(3) InChIKey: MYWSBJKVOUZCIA-UHFFFAOYAH