4-(2-BROMOETHYL)-ACETOPHENONE

The CAS register number of Ethanone,1-[4-(2-bromoethyl)phenyl]- is 40422-73-9. It also can be called as 1-[4-(2-Bromoethyl)phenyl]ethan-1-one and the IUPAC name about this chemical is 1-[4-(2-bromoethyl)phenyl]ethanone. The molecular formula about this chemical is C₁₀H₁₁BrO and the molecular weight is 227.10. It belongs to the Aromatic Acetophenones & Derivatives (substituted).

Physical properties about Ethanone,1-[4-(2-bromoethyl)phenyl]- are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 2.54; (4)ACD/BCF (pH 5.5): 49.79; (5)ACD/BCF (pH 7.4): 49.79; (6)ACD/KOC (pH 5.5): 570.7; (7)ACD/KOC (pH 7.4): 570.7; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Ų; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 53.56 cm³; (13)Molar Volume: 166.9 cm³; (14)Polarizability: 21.23x10^-24cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Flash Point: 77.8 °C; (17)Enthalpy of Vaporization: 54.02 kJ/mol; (18)Boiling Point: 300.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00114 mmHg at 25°C.

Preparation: this chemical can be prepared by (2-bromo-ethyl)-benzene and acetyl chloride. This reaction will need reagent AlCl₃ and carbon disulfide.

Uses of Ethanone,1-[4-(2-bromoethyl)phenyl]-: it can be used to produce 1-(4-vinyl-phenyl)-ethanone at ambient temperature. This reaction will need reagent NaOEt and solvent ethanol with reaction time of 2 hours. The yield is about 90%.

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: BrCCc1ccc(cc1)C(=O)C
(2)InChI: InChI=1/C10H11BrO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3
(3)InChIKey: SCBYPRYCSIVASE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H11BrO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3
(5)Std. InChIKey: SCBYPRYCSIVASE-UHFFFAOYSA-N