HEXAFLUOROGLUTARYL CHLORIDE

The CAS register number of Pentanedioyldichloride, 2,2,3,3,4,4-hexafluoro- is 678-77-3. It also can be called as Hexafluoroglutaryl chloride and the systematic name about this chemical is hexafluoropentanedioyl dichloride. The molecular formula about this chemical is C₅Cl₂F₆O₂ and the molecular weight is 276.95.

Physical properties about Pentanedioyldichloride, 2,2,3,3,4,4-hexafluoro- are: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.58; (4)ACD/LogD (pH 7.4): 6.58; (5)ACD/BCF (pH 5.5): 58967.24; (6)ACD/BCF (pH 7.4): 58967.24; (7)ACD/KOC (pH 5.5): 90445.02; (8)ACD/KOC (pH 7.4): 90445.02; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.14 Å²; (12)Index of Refraction: 1.363; (13)Molar Refractivity: 35.85 cm³; (14)Molar Volume: 160.9 cm³; (15)Polarizability: 14.21x10^-24cm³; (16)Surface Tension: 25.1 dyne/cm; (17)Density: 1.721 g/cm³; (18)Flash Point: 36.2 °C; (19)Enthalpy of Vaporization: 37.36 kJ/mol; (20)Boiling Point: 136.2 °C at 760 mmHg; (21)Vapour Pressure: 7.44 mmHg at 25 °C.

Preparation: this chemical can be prepared by hexafluoro-pentanedioic acid. This reaction will need reagent of SOCl₂, KCl. The reaction needs heating.

Uses of Pentanedioyldichloride, 2,2,3,3,4,4-hexafluoro-: it can be used to produce 2,2',3,3',4,4'-hexafluoro-1,5-bis[4-(3-methyl-1-phenylpyrazol-5-one)]-1,5-dioxopentane with 5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one. This reaction will need reagent of Ca(OH)₂ and solvent of dioxane. This reaction needs heating. The reaction time is 3 days. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to respiratory system. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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(F)(F)C(Cl)=O)C(F)(F)C(Cl)=O
(2)InChI: InChI=1/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
(3)InChIKey: QOLALWJWCONGMG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
(5)Std. InChIKey: QOLALWJWCONGMG-UHFFFAOYSA-N