2',4',5'-Trifluoroacetophenone

The Ethanone,1-(2,4,5-trifluorophenyl)-, with CAS registry number 129322-83-4, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C7 to C8; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,4,5-trifluorophenyl)ethanone. This chemical is a kind of clear yellow liquid. And it should be stored in a dry cool place.

Physical properties of Ethanone,1-(2,4,5-trifluorophenyl)-: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.67; (6)ACD/BCF (pH 7.4): 7.67; (7)ACD/KOC (pH 5.5): 149.58; (8)ACD/KOC (pH 7.4): 149.58; (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: 1.455; (14)Molar Refractivity: 36.26 cm³; (15)Molar Volume: 133.5 cm³; (16)Polarizability: 14.37×10^-24cm³; (17)Surface Tension: 30.4 dyne/cm; (18)Enthalpy of Vaporization: 43.6 kJ/mol; (19)Vapour Pressure: 0.335 mmHg at 25°C.

Preparation: this chemical can be prepared by acetyl chloride and 1,2,4-trifluoro-benzene. This reaction will need reagent aluminum chloride.

Uses of Ethanone,1-(2,4,5-trifluorophenyl)-: it can be used to produce 2,4,5-trifluoro-benzoic acid. This reaction will need reagents sodium hydroxide, sodium hypochlorite and H₂O. The reaction time is 22 hour(s). The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,4,5-trifluorophenyl)- 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: Fc1cc(C(=O)C)c(F)cc1F
(2)InChI: InChI=1/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
(3)InChIKey: GVTLJUZWNNFHMZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
(5)Std. InChIKey: GVTLJUZWNNFHMZ-UHFFFAOYSA-N