3-(3,4-DICHLOROPHENOXY)BENZALDEHYDE

The Benzaldehyde,3-(3,4-dichlorophenoxy)- is an organic compound with the formula C₁₃H₈Cl₂O₂. The IUPAC name of this chemical is 3-(3,4-dichlorophenoxy)benzaldehyde. With the CAS registry number 79124-76-8, it is also named as m-(3,4-Dichlorophenoxy)benzaldehyde. The product's categories are Aldehydes; C10 to C21; Carbonyl Compounds.

Physical properties about Benzaldehyde,3-(3,4-dichlorophenoxy)- are: (1)ACD/LogP: 4.57; (2)ACD/LogD (pH 5.5): 4.57; (3)ACD/LogD (pH 7.4): 4.57; (4)ACD/BCF (pH 5.5): 1752.83; (5)ACD/BCF (pH 7.4): 1752.83; (6)ACD/KOC (pH 5.5): 7302.42; (7)ACD/KOC (pH 7.4): 7302.42; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 69.23 cm³; (13)Molar Volume: 195.5 cm³; (14)Polarizability: 27.44×10^-24cm³; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.365 g/cm³; (17)Flash Point: 166.4 °C; (18)Enthalpy of Vaporization: 64.53 kJ/mol; (19)Boiling Point: 395.2 °C at 760 mmHg; (20)Vapour Pressure: 1.87E-06 mmHg at 25°C.

Uses of Benzaldehyde,3-(3,4-dichlorophenoxy)-: it can be used to produce 3-[3-(3,4-dichloro-phenoxy)-phenyl]-acrylic acid and3-amino-3-[3-(3,4-dichloro-phenoxy)-phenyl]-propionic acid; hydrochloride by heating. It will need reagent ammonium acetate, 1.0N HCl and solvent ethanol with reaction time of 7 hours. The yield is about 43%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Oc1cc(C=O)ccc1)cc2Cl
(2)InChI: InChI=1/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
(3)InChIKey: ABQHJSHFFLAGHF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
(5)Std. InChIKey: ABQHJSHFFLAGHF-UHFFFAOYSA-N