1H-HEPTAFLUOROPROPANE

The Propane,1,1,1,2,2,3,3-heptafluoro-, with the CAS registry number of 2252-84-8, is also known as 1-Hydroheptafluoropropane. It belongs to the product category of refrigerants. This chemical's molecular formula is C₃HF₇ and molecular weight is 170.03. What's more, its IUPAC name is 1,1,1,2,2,3,3-Heptafluoropropane.

Physical properties about the Propane,1,1,1,2,2,3,3-heptafluoro- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.42; (6)ACD/BCF (pH 7.4): 12.42; (7)ACD/KOC (pH 5.5): 211.28; (8)ACD/KOC (pH 7.4): 211.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Ų; (13)Index of Refraction: 1.229; (14)Molar Refractivity: 16.98 cm³; (15)Molar Volume: 116.6 cm³; (16)Surface Tension: 9.6 dyne/cm; (17)Density: 1.457 g/cm³; (18)Enthalpy of Vaporization: 22.6 kJ/mol; (19)Vapour Pressure: 3080 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 4-Chloro-aniline with 1,1,1,2,2,3,3-Heptafluoro-3-iodo-propane. The reaction needs reagent Copper bronze and solvent Dimethylsulfoxide. The reaction time is 16 h with reaction temperature of 100 °C. The yield is about 45 %.



When you are using this chemical, please be cautious about it as the following:
You should avoid breathing the gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In addition, in case of insufficient ventilation wear suitable respiratory equipment.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)C(F)(F)C(F)(F)F
(2) InChI: InChI=1/C3HF7/c4-1(5)2(6,7)3(8,9)10/h1H
(3) InChIKey: UKACHOXRXFQJFN-UHFFFAOYAD