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CAS No.: | 678-78-4 |
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Name: | HEXAFLUOROGLUTARYL FLUORIDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C5F8O2 |
Molecular Weight: | 244.041 |
Synonyms: | Glutarylfluoride, hexafluoro- (7CI,8CI);Pentanedioyl difluoride, hexafluoro- (9CI);Hexafluoroglutaryl fluoride;Perfluoroglutaric difluoride;Perfluoroglutarylfluoride; |
EINECS: | 211-652-2 |
Density: | 1.637 g/cm3 |
Boiling Point: | 113.1 °C at 760 mmHg |
Flash Point: | 35.2 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 34.14000 |
LogP: | 1.88450 |
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The Pentanedioyldifluoride, 2,2,3,3,4,4-hexafluoro-, with the CAS registry number 678-78-4, is also known as Perfluoroglutaric difluoride. This chemical's molecular formula is C5F8O2 and molecular weight is 244.04. What's more, its systematic name is Hexafluoropentanedioyl difluoride and its EINECS number is 211-652-2. This chemical should be stored at cold temperatures.
Physical properties of Pentanedioyldifluoride, 2,2,3,3,4,4-hexafluoro- are: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23532.62; (6)ACD/BCF (pH 7.4): 23532.62; (7)ACD/KOC (pH 5.5): 46862.66; (8)ACD/KOC (pH 7.4): 46862.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.283; (14)Molar Refractivity: 26.47 cm3; (15)Molar Volume: 149 cm3; (16)Polarizability: 10.49×10-24 cm3; (17)Surface Tension: 16.9 dyne/cm; (18)Density: 1.637 g/cm3; (19)Flash Point: 35.2 °C; (20)Enthalpy of Vaporization: 35.17 kJ/mol; (21)Boiling Point: 113.1 °C at 760 mmHg; (22)Vapour Pressure: 21.1 mmHg at 25°C.
Preparation: this chemical can be prepared by hexafluoro-pentanedioic acid at the temperature of -78 °C. This reaction will need reagents FAR and NaF with the reaction time of 15 min. The yield is about 72%.
Uses of Pentanedioyldifluoride, 2,2,3,3,4,4-hexafluoro-: it can be used to produce 1,1,2,2,3,3-hexafluoro-1,3-diiodo-propane at the temperature of 180 °C. It will need reagent LiI with the reaction time of 7 hours. The yield is about 72%.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)=O)C(F)(F)C(F)=O
(2)InChI: InChI=1/C5F8O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
(3)InChIKey: XAKMJUAGVWKMOB-UHFFFAOYSA-N