2-Bromo-1-(3-fluorophenyl)ethan-1-one

The IUPAC name of Ethanone,2-bromo-1-(3-fluorophenyl)- is 2-bromo-1-(3-fluorophenyl)ethanone. With the CAS registry number 53631-18-8, it is also named as 3-Fluorophenacyl bromide. The product's categories are Acetylhalide; Acetophenone Series. Besides, it is lachrymatory, which should be stored in cold place. In addition, its molecular formula is C₈H₆BrFO and molecular weight is 217.04.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.5; (6)ACD/BCF (pH 7.4): 32.5; (7)ACD/KOC (pH 5.5): 420.53; (8)ACD/KOC (pH 7.4): 420.53; (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: 1.548; (14)Molar Refractivity: 44 cm³; (15)Molar Volume: 138.3 cm³; (16)Polarizability: 17.44×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.568 g/cm³; (19)Flash Point: 102.2 °C; (20)Melting point: 34-35 °C; (21)Enthalpy of Vaporization: 48.25 kJ/mol; (22)Boiling Point: 245.4 °C at 760 mmHg; (23)Vapour Pressure: 0.0287 mmHg at 25 °C.

Uses of Ethanone,2-bromo-1-(3-fluorophenyl)-: it can react with O-Methyl-hydroxylamine; hydrochloride to get 2-Bromo-1-(3-fluoro-phenyl)-ethanone O-methyl-oxime.



This reaction needs Ethanol and H₂O. The yield is 76.9 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. And please take off immediately all contaminated clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And 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(c1cc(F)ccc1)CBr
(2)InChI: InChI=1/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
(3)InChIKey: ITAQNNGDCNFGID-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
(5)Std. InChIKey: ITAQNNGDCNFGID-UHFFFAOYSA-N