2,5-BIS(TRIFLUOROMETHYL)-3,6-DIOXAUNDECAFLUORONONANOYL FLUORIDE

The CAS register number of Propanoyl fluoride,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]- is 2641-34-1. It also can be called as Hexafluoropropeneoxide trimer and the systematic name about this chemical is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoyl fluoride. The molecular formula about this chemical is C₉F₁₈O₃ and the molecular weight is 498.07.

Physical properties about Propanoyl fluoride,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]- are: (1)ACD/LogP: 14.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 14.9; (4)ACD/LogD (pH 7.4): 14.9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.279; (13)Molar Refractivity: 49.93 cm³; (14)Molar Volume: 285.3 cm³; (15)Polarizability: 19.79x10^-24cm³; (16)Surface Tension: 15.5 dyne/cm; (17)Density: 1.745 g/cm³; (18)Flash Point: 71.1 °C; (19)Enthalpy of Vaporization: 43.3 kJ/mol; (20)Boiling Point: 196.8 °C at 760 mmHg; (21)Vapour Pressure: 0.392 mmHg at 25 °C.

Preparation: this chemical can be prepared by trifluoro-trifluoromethyl-oxirane. This reaction will need reagent of potassium fluoride and solvent of bis-(2-methoxy-ethyl) ether. The reaction time is 24 hours with ambient temperature. The yield is about 3%.

Uses of Propanoyl fluoride,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-: it can be used to produce 1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane. This reaction is a kind of elimination. This reaction will need reagent of Na₂CO₃ and solvent of bis-(2-methoxy-ethyl) ether. The reaction time is 52 hours with reaction temperature of 20 °C. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns and it may destroy living tissue on contact. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)OC(F)(C(F)(F)OC(F)(C(F)=O)C(F)(F)F)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20
(3)InChIKey: YSIGVPOSKQLNTO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20
(5)Std. InChIKey: YSIGVPOSKQLNTO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	60mg/kg (60mg/kg)		National Technical Information Service. Vol. OTS0556053,