4'-Bromobutyrophenone

The 4'-Bromobutyrophenone, with the CAS registry number 4981-64-0 and EINECS registry number 225-632-6, has the systematic name and IUPAC name of 1-(4-bromophenyl)butan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of this chemical is C₁₀H₁₁BrO.

The physical properties of 4'-Bromobutyrophenone are as following: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.74; (6)ACD/BCF (pH 7.4): 265.74; (7)ACD/KOC (pH 5.5): 1892.47; (8)ACD/KOC (pH 7.4): 1892.47; (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: 1.538; (14)Molar Refractivity: 53.23 cm³; (15)Molar Volume: 170.1 cm³; (16)Polarizability: 21.1×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.334 g/cm³; (19)Flash Point: 71.2 °C; (20)Enthalpy of Vaporization: 53.03 kJ/mol; (21)Boiling Point: 290.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00202 mmHg at 25°C.   

Preparation of 4'-Bromobutyrophenone: This chemical can be prepared by butyryl chloride and bromobenzene. The reaction will need reagent AlCl₃, and the solvent CS₂. 

Uses of 4'-Bromobutyrophenone: It can react with triphenylphosphane to produce (p-butyrylphenyl)triphenylphosphonium bromide. The reaction time is 3.5 hours with temperature of 280°C, and the yield is about 44%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)CCC
(2)InChI: InChI=1/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
(3)InChIKey: HOIDKJFWEVIJAT-UHFFFAOYAE