1,1,1,3,3,3-Hexafluoropropane

The 1,1,1,3,3,3-Hexafluoropropane, which is also the IUPAC name of this chemical, belongs to the classes of refrigerants; Refrigerant; Fluorochemicals. Its cas registry number is 690-39-1. Its systematic name is called Propane, 1,1,1,3,3,3-hexafluoro-. This chemical is also known as HFC-236fa. It is mainly used as fire extinguishing agent, refrigerant, aerosol sprays, blowing agents and carrier thermal media.

Physical properties about this chemical are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.3; (6)ACD/BCF (pH 7.4): 4.3; (7)ACD/KOC (pH 5.5): 98.92; (8)ACD/KOC (pH 7.4): 98.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.24; (13)Molar Refractivity: 16.86 cm³; (14)Molar Volume: 110.8 cm³; (15)Surface Tension: 10.3 dyne/cm; (16)Density: 1.371 g/cm³ ; (17)Enthalpy of Vaporization: 22.85 kJ/mol; (18)Vapour Pressure: 2780 mmHg at 25°C.

Preparation of 1,1,1,3,3,3-Hexafluoropropane: It can be prepared by oxosuccinic acid. In this reaction, it will give 2H,2H-octafluoro-butane. The reaction needs reagents SF4, HF (anh.) at temperature of 20 ℃. It also needs steel autoclave. The reaction time is 12 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical is stable and non-combustible. But it is incompatible with alkali metals, strong bases. It is a commenced PMN (Premanufacture Notice) substance. Moderately toxic by inhalation route. When heated to decomposition, it emits toxic vapors of F^-. Do not breathe vapour during using it.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2;
(2)Smiles: C(CC(F)(F)F)(F)(F)F

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LCLo	inhalation	> 19.5pph/4H (195000ppm)	BEHAVIORAL: GENERAL ANESTHETIC	Toxicologist. Vol. 30, Pg. 291, 1996.