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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]-

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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]-

EINECS 220-141-3
CAS No. 2641-34-1 Density 1.745 g/cm3
PSA 35.53000 LogP 5.35510
Solubility N/A Melting Point N/A
Formula C9F18O3 Boiling Point 196.8 °C at 760 mmHg
Molecular Weight 498.068 Flash Point 71.1 °C
Transport Information 3265 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 2641-34-1 (2,5-BIS(TRIFLUOROMETHYL)-3,6-DIOXAUNDECAFLUORONONANOYL FLUORIDE) Hazard Symbols CorrosiveC
Synonyms

Propanoylfluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-(9CI);Propionyl fluoride,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-(7CI);Propionyl fluoride,tetrafluoro-2-[hexafluoro-2-(heptafluoropropoxy)propoxy]- (8CI);Hexafluoropropeneoxide trimer;

Article Data 14

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]- Specification

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%.

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]- can be prepared by trifluoro-trifluoromethyl-oxirane.

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%.

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]- can be used to produce 1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane.

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,

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