2-Bromo-4'-chloroacetophenone

The IUPAC name of p-Chlorophenacyl bromide is 2-bromo-1-(4-chlorophenyl)ethanone. With the CAS registry number 536-38-9 and EINECS 208-631-5, it is also named as 2-Bromo-4'-chloroacetophenone. The product's categories are Aromatic Acetophenones & Derivatives (substituted); Aromatics Compounds; Aromatics; Acetophenone Series. It is crystalline powder which is lachrymatory, toxic and flammable. When heated to decomposition it emits toxic vapors of Br⁻ and Cl⁻. So the storage environment should be well-ventilated, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.2; (6)ACD/BCF (pH 7.4): 90.2; (7)ACD/KOC (pH 5.5): 873.24; (8)ACD/KOC (pH 7.4): 873.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 48.9 cm³; (14)Molar Volume: 146 cm³; (15)Polarizability: 19.38×10^-24 cm³; (16)Surface Tension: 45.9 dyne/cm; (17)Enthalpy of Vaporization: 52.91 kJ/mol; (18)Vapour Pressure: 0.00216 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 231.929055; (22)MonoIsotopic Mass: 231.929055; (23)Topological Polar Surface Area: 17.1; (24)Heavy Atom Count: 11; (25)Complexity: 141.

Preparation of p-Chlorophenacyl bromide: It can be obtained by the reaction of chlorobenzene and bromoacetyl chloride in the presence of alchlor. Or it can be produced by the bromination of parachloroacetophenone.

Uses of p-Chlorophenacyl bromide: It is used as intermediate in organic synthesis. It also can react with 2-methyl-pyridine to get 1-(4-chloro-phenacyl)-2-methyl-pyridinium; bromide. This reaction needs solvent ethanol by cooling. The yield is 72%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes. And it can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(c1ccc(Cl)cc1)CBr
2. InChI:InChI=1/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
3. InChIKey:FLAYZKKEOIAALB-UHFFFAOYAA

The following are the toxicity data which has been tested.