1,3-Dichloro-2,4-difluorobenzene

1,3-Dichloro-2,4-difluorobenzene is an organic compound with the formula C₆H₂Cl₂F₂, and its systematic name is the same with the product name. With the CAS registry number 36556-37-3, it is also named as 2,4-Dichloro-1,3-difluorobenzene. It belongs to the product categories of Chlorine Compounds; Fluorine Compounds. In addition, the molecular weight is 182.98. This chemical is mainly used for making anti-psychotic prescription for solving the three haloperidol, trifluoro-piperazine SBR, quinolones ciprofloxacin and other major raw materials.

Physical properties of 1,3-Dichloro-2,4-difluorobenzene are: (1)ACD/LogP: 3.909; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 550.50; (6)ACD/BCF (pH 7.4): 550.50; (7)ACD/KOC (pH 5.5): 3187.40; (8)ACD/KOC (pH 7.4): 3187.40; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 36.031 cm³; (14)Molar Volume: 121.754 cm³; (15)Polarizability: 14.284×10^-24cm³; (16)Surface Tension: 33.66 dyne/cm; (17)Density: 1.503 g/cm³; (18)Flash Point: 64.437 °C; (19)Enthalpy of Vaporization: 39.973 kJ/mol; (20)Boiling Point: 180.555 °C at 760 mmHg; (21)Vapour Pressure: 1.2 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2,4-difluoro-benzene at the temperature of -78 °C. This reaction will need reagent 1.6 M n-BuLi and solvents tetrahydrofuran, hexane with the reaction time of 1 hour. The yield is about 88%.

Uses of 1,3-Dichloro-2,4-difluorobenzene: it can be used to produce 3,5-dichloro-2,4-difluorobenzoic acid at the temperature of -78 °C. It will need reagent LDA and solvents tetrahydrofuran, hexane with the reaction time of 35 min. The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(F)c(Cl)c1F
(2)Std. InChI: InChI=1S/C6H2Cl2F2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H
(3)Std. InChIKey: XPHNTJXRSWNSNF-UHFFFAOYSA-N