2,6-DIFORMYL-4-CHLOROPHENOL

The 5-Chloro-2-hydroxyisophthalaldehyde with CAS registry number of 32596-43-3 is also called 1,3-Benzenedicarboxaldehyde,5-chloro-2-hydroxy-. The IUPAC name is 5-Chloro-2-hydroxybenzene-1,3-dicarbaldehyde. And its EINECS registry number is 251-123-3. In addition, the formula is C₈H₅ClO₃ and the molecular weight is 184.58.

Physical properties about this chemical are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 82.25; (6)ACD/BCF (pH 7.4): 3.88; (7)ACD/KOC (pH 5.5): 749.53; (8)ACD/KOC (pH 7.4): 35.33; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 46.53 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 18.44 ×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.498 g/cm³; (19)Flash Point: 102.6 °C; (20)Enthalpy of Vaporization: 50.28 kJ/mol; (21)Boiling Point: 246.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0177 mmHg at 25°C.

Preparation of 5-chloro-2-hydroxy-isophthalaldehyde: it can be prepared by 4-chloro-2,6-bis-hydroxymethyl-phenol. This reaction will need reagent MnO₂ and solvent CHCl₃. The reaction time is 8 hour(s) with reaction temperature of 180 °C and in the case of heating. The yield is about 72%.



Uses of 5-chloro-2-hydroxy-isophthalaldehyde: it can react with sulfuric acid dimethyl ester to give 5-chloro-2-methoxy-isophthalaldehyde. This reaction will need reagent 1 N sodium hydroxide, adogen 464 and solvent CH₂Cl₂. Moreover, the reaction time is 72 hour(s) with ambient temperature. The yield is about 86%.



When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(O)c(cc(Cl)c1)C=O
(2)InChI: InChI=1/C8H5ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H
(3)InChIKey: MYHXSDYZVOKOAT-UHFFFAOYAF