DIETHYL HEXAFLUOROGLUTARATE

The Diethyl hexafluoroglutarate, with the CAS registry number 424-40-8 and EINECS registry number 207-035-2, has the IUPAC name of diethyl 2,2,3,3,4,4-hexafluoropentanedioate. And the molecular formula of this chemical is C₉H₁₀F₆O₄. In addition, it is also named as Pentanedioic acid, 2,2,3,3,4,4-hexafluoro-, diethyl ester.

The physical properties of Diethyl hexafluoroglutarate are as following: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1129.46; (6)ACD/BCF (pH 7.4): 1129.46; (7)ACD/KOC (pH 5.5): 5331.44; (8)ACD/KOC (pH 7.4): 5331.44; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.362; (14)Molar Refractivity: 48.17 cm³; (15)Molar Volume: 216.8 cm³; (16)Polarizability: 19.09×10^-24cm³; (17)Surface Tension: 24.3 dyne/cm; (18)Density: 1.365 g/cm³; (19)Flash Point: 86.9 °C; (20)Enthalpy of Vaporization: 46.05 kJ/mol; (21)Boiling Point: 224 °C at 760 mmHg; (22)Vapour Pressure: 0.0935 mmHg at 25°C.

Uses of Diethyl hexafluoroglutarate: It can react with dichlorobenzyllithium to produce 1,1,7,7-tetrachloro-3,3,4,4,5,5-hexafluoro-1,7-diphenyl-heptane-2,6-dione. This reaction will need solvents diethyl ether, tetrahydrofuran and hexane. The reaction time is 7 hours with temperature of -115°C, and the yield is about 85%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(=O)OCC)C(F)(F)C(F)(F)C(=O)OCC
(2)InChI: InChI=1/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3
(3)InChIKey: MSDPXVBLFJODJO-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	4200mg/kg (4200mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 53, 1982.
rat	LC50	inhalation	1300mg/m3/4H (1300mg/m3)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 53, 1982.
rat	LD50	oral	5gm/kg (5000mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 53, 1982.