1,1,1-TRICHLOROPENTAFLUOROPROPANE

The Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro-, with the CAS registry number 4259-43-2, is also known as 2,2,3,3,3-Pentafluoro-1,1,1-trichloropropane. It belongs to the product categories of CFC; Refrigerants. This chemical's molecular formula is C₃Cl₃F₅ and molecular weight is 237.38. What's more, its IUPAC name is 1,1,1-trichloro-2,2,3,3,3-pentafluoropropane.

Physical properties of Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro- are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1386.34; (6)ACD/BCF (pH 7.4): 1386.34; (7)ACD/KOC (pH 5.5): 6173.74; (8)ACD/KOC (pH 7.4): 6173.74; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.365; (14)Molar Refractivity: 31.21 cm³; (15)Molar Volume: 139.5 cm³; (16)Polarizability: 12.37×10^-24cm³; (17)Surface Tension: 21.2 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 3 °C; (20)Enthalpy of Vaporization: 30.03 kJ/mol; (21)Boiling Point: 71.9 °C at 760 mmHg; (22)Vapour Pressure: 133 mmHg at 25°C.

Preparation: this chemical can be prepared by trichloro-fluoro-methane and tetrafluoroethene at the temperature of 30-50°C. This reaction will need reagent AlCl₃ with the reaction time of 10 hours. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(F)(F)C(F)(F)F
(2)Std. InChI: InChI=1S/C3Cl3F5/c4-2(5,6)1(7,8)3(9,10)11
(3)Std. InChIKey: HJRXHKBZNQULJQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD	skin	> 11gm/kg (11000mg/kg)		National Technical Information Service. Vol. OTS0571659,
rat	LCLo	inhalation	30000ppm/4H (30000ppm)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	National Technical Information Service. Vol. OTS0571659,