2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE

The CAS register number of Ethanone,2-bromo-1-(4-chloro-3-methylphenyl)- is 205178-80-9. It also can be called as 4-Chloro-3-methylphenacyl bromide and the systematic name about this chemical is 2-bromo-1-(4-chloro-3-methylphenyl)ethanone. The molecular formula about this chemical is C₉H₈BrClO and the molecular weight is 247.52.

Physical properties about Ethanone,2-bromo-1-(4-chloro-3-methylphenyl)- are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 118.291; (5)ACD/BCF (pH 7.4): 118.291; (6)ACD/KOC (pH 5.5): 1060.301; (7)ACD/KOC (pH 7.4): 1060.301; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Ų; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 53.733 cm³; (13)Molar Volume: 162.371 cm³; (14)Polarizability: 21.301x10^-24cm³; (15)Surface Tension: 43.966 dyne/cm; (16)Enthalpy of Vaporization: 55.332 kJ/mol; (17)Boiling Point: 312.329 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: Cc1cc(ccc1Cl)C(=O)CBr
(2)InChI: InChI=1/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3
(3)InChIKey: LUCPZLPBUCDKQE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3
(5)Std. InChIKey: LUCPZLPBUCDKQE-UHFFFAOYSA-N