2-BROMO-2',4'-DICHLOROACETOPHENONE

The Ethanone, 2-bromo-1-(2,4-dichlorophenyl)-, labeled withcarbon-14 (9CI), with CAS registry number 170894-53-8, has the systematic name of 2-bromo-1-(2,4-dichlorophenyl)ethanone. Besides this, it is also called 2-Bromo-2',4'-dichloroacetophenone. And the chemical formula of this chemical is C₈H₅BrCl₂O.

Physical properties of Ethanone, 2-bromo-1-(2,4-dichlorophenyl)-, labeled withcarbon-14 (9CI): (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 193.94; (6)ACD/BCF (pH 7.4): 193.94; (7)ACD/KOC (pH 5.5): 1510.47; (8)ACD/KOC (pH 7.4): 1510.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 53.8 cm³; (15)Molar Volume: 158 cm³; (16)Polarizability: 21.32×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.695 g/cm³; (19)Flash Point: 133.3 °C; (20)Enthalpy of Vaporization: 53.65 kJ/mol; (21)Boiling Point: 296.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00141 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanone, 2-bromo-1-(2,4-dichlorophenyl)-, labeled withcarbon-14 (9CI) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1Cl)CBr
(2)InChI: InChI=1/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
(3)InChIKey: DASJDMQCPIDJIF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
(5)Std. InChIKey: DASJDMQCPIDJIF-UHFFFAOYSA-N