1,1,1-Trichlorotrifluoroethane

Reported in EPA TSCA Inventory.

The IUPAC name of this product is 1,1,1-Trichlorotrifluoroethane. With the CAS registry number 354-58-5, it is also named as Trichlorotrifluoroethane; Ethane, 1,1,1-trichloro-2,2,2-trifluoro-. The product's categories are CFC, refrigerants and organics. It is clear colourless liquid which is insoluble in water, soluble in chloroform, carbon tetrachloride and other organic solvents.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 96.51; (6)ACD/BCF (pH 7.4): 96.51; (7)ACD/KOC (pH 5.5): 916.59; (8)ACD/KOC (pH 7.4): 916.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.385; (13)Molar Refractivity: 26.28 cm³; (14)Molar Volume: 112.1 cm³; (15)Polarizability: 10.42×10^-24 cm³; (16)Surface Tension: 23 dyne/cm; (17)Enthalpy of Vaporization: 26.85 kJ/mol; (18)Vapour Pressure: 314 mmHg at 25°C; (19)Exact Mass: 185.901768; (20)MonoIsotopic Mass: 185.901768; (21)Heavy Atom Count: 8.

Preparation of 1,1,1-Trichlorotrifluoroethane: Using triclene as raw materials which is gas phase fluorated by hydrogen fluoride to produce 1,1,1-trifluoro-2-tetrachloroethane, and then to light chlorination and washing, caustic washing, drying, to get crude product of 1,1,1-trifluoro-trichloroethane. Reaction equation: ClCH＝CCl₂+HF→CF₃CH₂Cl[Cl₂]→CF₃CCl₃

Uses of 1,1,1-Trichlorotrifluoroethane: It is an inert organic solvents and it can be used as an organic fluorine fine chemicals, new pesticides and pharmaceutical raw materials. It also can be used in many organic synthesis. For example: It reacts with furfural to get 2,2-dichloro-3,3,3-trifluoro-1-(2-furyl)propan-1-ol. This reaction needs reagent Zn powder and HCl and solvent dimethylformamide at ambient temperature. The reaction time is 3 days. The yield is 95%.

When you are using this chemical, please be cautious about it as the following:
It is dangerous to the ozone layer. So people should not breathe vapour and avoid contact with skin and eyes. Refer to manufacturer / supplier for information on recovery / recycling. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES: ClC(Cl)(Cl)C(F)(F)F;
2. InChI: InChI=1/C2Cl3F3/c3-1(4,5)2(6,7)8.

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	8600mg/kg (8600mg/kg)		European Journal of Toxicology and Environmental Hygiene. Vol. 7, Pg. 247, 1974.
rat	LC50	inhalation	13pph/15M (130000ppm)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Human Toxicology. Vol. 1, Pg. 239, 1982.