BROMOPENTAFLUOROACETONE

The 2-Propanone,1-bromo-1,1,3,3,3-pentafluoro-, with the CAS registry number 815-23-6, has the systematic name of 1-bromo-1,1,3,3,3-pentafluoropropan-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₃BrF₅O.

The characteristics of 2-Propanone,1-bromo-1,1,3,3,3-pentafluoro- are as followings: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 197.63; (6)ACD/BCF (pH 7.4): 197.63; (7)ACD/KOC (pH 5.5): 1530.99; (8)ACD/KOC (pH 7.4): 1530.99; (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: 1.343; (14)Molar Refractivity: 24.45 cm³; (15)Molar Volume: 115.6 cm³; (16)Polarizability: 9.69×10^-24cm³; (17)Surface Tension: 20.5 dyne/cm; (18)Density: 1.961 g/cm³; (19)Enthalpy of Vaporization: 31.42 kJ/mol; (20)Boiling Point: 72.8 °C at 760 mmHg; (21)Vapour Pressure: 117 mmHg at 25°C. 

Uses of 2-Propanone,1-bromo-1,1,3,3,3-pentafluoro-: It can react with acrylic acid ethyl ester to produce 2-(2-bromo-2,2-difluoro-1-hydroxy-1-trifluoromethyl-ethyl)-acrylic acid ethyl ester. This reaction will need reagent DABCO, and the menstruum tetrahydrofuran. The reaction time is 16 hours with temperature of 20°C, and the yield is about 39%.

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, gloves and eye/face protection, and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)C(=O)C(Br)(F)F
(2)InChI: InChI=1/C3BrF5O/c4-2(5,6)1(10)3(7,8)9
(3)InChIKey: IYDJQZOFWOSTFO-UHFFFAOYAN