4-BROMO-4'-CHLOROCHALCONE

The 2-Propen-1-one,3-(4-bromophenyl)-1-(4-chlorophenyl)-, with the CAS registry number 19672-61-8, is also known as 4-Bromo-4'-chlorochalcone. This chemical's molecular formula is C₁₅H₁₀BrClO and molecular weight is 321.5963. What's more, its systematic name which is called 3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 5.67; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 11964.11; (6)ACD/BCF (pH 7.4): 11964.11; (7)ACD/KOC (pH 5.5): 28875.9; (8)ACD/KOC (pH 7.4): 28875.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 79.69 cm³; (15)Molar Volume: 217.9 cm³; (16)Polarizability: 31.59×10^-24 cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 217.5 °C; (20)Enthalpy of Vaporization: 69.24 kJ/mol; (21)Boiling Point: 436 °C at 760 mmHg; (22)Vapour Pressure: 8.36E-08 mmHg at 25 °C.

Uses of 2-Propen-1-one,3-(4-bromophenyl)-1-(4-chlorophenyl)-: it is used to produce other chemicals. For example, it is used to produce 5-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole.

The reaction needs solvent Acetic acid and other condition of heating for 4 hours. The yield is 94.7%.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(/C=C/C(=O)c1ccc(Cl)cc1)cc2
(2) InChI: InChI=1/C15H10BrClO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
(3) InChIKey: ZSTZCXBJHPAPIQ-XCVCLJGOBN