1-CHLORO-4H-OCTAFLUOROBUTANE

The Butane,1-chloro-1,1,2,2,3,3,4,4-octafluoro-, with the CAS registry number 423-31-4, is also known as Butane, chlorooctafluoro- and 1-Chloro-4H-octafluorobutane. This chemical's molecular formula is C₄HClF₈ and molecular weight is 236.491. What's more, both its IUPAC name and systematic name are the same which is called 1-Chloro-1,1,2,2,3,3,4,4-octafluorobutan. In addition, it may cause inflammation to the skin or other mucous membranes.

Physical properties about Butane,1-chloro-1,1,2,2,3,3,4,4-octafluoro- are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 233.75; (6)ACD/BCF (pH 7.4): 233.75; (7)ACD/KOC (pH 5.5): 1726.46; (8)ACD/KOC (pH 7.4): 1726.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.283; (14)Molar Refractivity: 26.59 cm³; (15)Molar Volume: 150 cm³; (16)Polarizability: 10.54×10^-24 cm³; (17)Surface Tension: 13.6 dyne/cm; (18)Density: 1.576 g/cm³; (19)Enthalpy of Vaporization: 28.26 kJ/mol; (20)Boiling Point: 51.5 °C at 760 mmHg; (21)Vapour Pressure: 289 mmHg at 25 °C.

Preparation of Butane,1-chloro-1,1,2,2,3,3,4,4-octafluoro-: this chemical can be prepared by Tetra-N-methyl-benzene-1,4-diamine and 1-Chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodo-butane. This reaction needs reagent K₂CO₃ and solvent Dimethylformamide. The reaction time is 4 hours. The yield is 70 %.

Use of 1-Chloro-1,1,2,2,3,3,4,4-octafluoro-butane: it is used to produce other chemicals. For example, it is used to produce 1,1,2,2,3,3,4,4-Octafluoro-decane. The reaction occurs with reagents Zn, NiCl₂, Ph₃P and other condition of heating for 8 hours. The yield is 95 %.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(C(F)(F)C(Cl)(F)F)C(F)F
(2) InChI: InChI=1/C4HClF8/c5-4(12,13)3(10,11)2(8,9)1(6)7/h1H
(3) InChIKey: NNMVWNQEVYZFRC-UHFFFAOYAB