2',5'-Difluoroacetophenone

The Ethanone,1-(2,5-difluorophenyl)-, with CAS registry number 1979-36-8, belongs to the following product categories: (1)Boronic Acid series; (2)Aromatic Acetophenones & Derivatives (substituted); (3)C7 to C8; (4)Carbonyl Compounds; (5)Ketones; (6)Acetophenone series. It has the systematic name of 1-(2,5-difluorophenyl)ethanone. This chemical is a kind of clear colorless to yellow liquid. What' s more, its EINECS is 217-837-4.

Physical properties of Ethanone,1-(2,5-difluorophenyl)-: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.63; (6)ACD/BCF (pH 7.4): 7.63; (7)ACD/KOC (pH 5.5): 149.09; (8)ACD/KOC (pH 7.4): 149.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 36.26 cm³; (15)Molar Volume: 129.3 cm³; (16)Polarizability: 14.37×10^-24cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Enthalpy of Vaporization: 42.69 kJ/mol; (19)Vapour Pressure: 0.534 mmHg at 25°C.

Uses of Ethanone,1-(2,5-difluorophenyl)-: it can be used to produce (2,5-difluoro-phenyl)-oxo-acetaldehyde. This reaction will need reagent SeO₂ and solvents dioxane, H₂O. The reaction time is 4 hour(s). The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,5-difluorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(c1cc(F)ccc1F)C
(2)InChI: InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
(3)InChIKey: HLAFIZUVVWJAKL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
(5)Std. InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N