|CAS No.||76-13-1||Density||1.67 g/cm3|
|Solubility||insoluble in water||Melting Point||
|Formula||C2Cl3F3||Boiling Point||50.9 °C at 760 mmHg|
|Molecular Weight||187.37||Flash Point|
|Transport Information||UN 3082 9/PG 3||Appearance||Colorless liquid with a sweet, ether-like odor|
|Molecular Structure||Hazard Symbols||N,Xi,T|
1,1,2-Trichloro-1,2,2-trifluoroethane;Arcton 113;Arklone P;Asahifron 113;CFC 113;Daiflon 113;Delifrene 113;Delifrene LS;FC 113;FKW 113;Fluorocarbon 113;Forane 113;Freon 113;Freon 113TR-T;Freon TF;Freon TS;Fridohna;Frigen 113;Frigen 113A;Frigen 113TR-N;Fron 113;Fronsolve113;Genetron 113;Halon 113;Isceon 113;Khladon 113;Ledon113;R 113;Refrigerant 113;Refrigerant R 113;
The Ethane,1,1,2-trichloro-1,2,2-trifluoro-, with the CAS registry number 76-13-1, is also known as Freon-113. It belongs to the product categories of CFC; Refrigerants; Organics. Its EINECS number is 200-936-1. This chemical's molecular formula is C2Cl3F3 and molecular weight is 187.37. What's more, its systematic name is 1,1,2-trichloro-1,2,2-trifluoroethane. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Reproductive Effect; (3)Skin / Eye Irritant. It is a very unreactive chlorofluorocarbon, that will stay in the atmosphere for a great deal of time if it is released. It was originally used as a coolant in air conditioners and refrigerators, and it was also formerly used as a solvent with which to clean electronics, especially phones. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire.
Physical properties of Ethane,1,1,2-trichloro-1,2,2-trifluoro- are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.8; (6)ACD/BCF (pH 7.4): 157.8; (7)ACD/KOC (pH 5.5): 1303.23; (8)ACD/KOC (pH 7.4): 1303.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.385; (13)Molar Refractivity: 26.28 cm3; (14)Molar Volume: 112.1 cm3; (15)Polarizability: 10.42×10-24cm3; (16)Surface Tension: 23 dyne/cm; (17)Density: 1.67 g/cm3; (18)Enthalpy of Vaporization: 27.04 kJ/mol; (19)Boiling Point: 50.9 °C at 760 mmHg; (20)Vapour Pressure: 296 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,1,2,2-tetrachloro-1,2-difluoro-ethane at the temperature of 20 - 25 °C. This reaction will need reagents BrF3, SbCl5 and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane. The yield is about 90%.
Uses of Ethane,1,1,2-trichloro-1,2,2-trifluoro-: it can be used to produce 1,1-dichloro-1,2,2-trifluoro-octane at the temperature of 40 °C. It will need reagents (NH4)2S2O8, HCO2Na·2H2O and solvent dimethylformamide with the reaction time of 3 hours. The yield is about 86.5%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic as it has a danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. Moreover, it is dangerous for the ozone layer. When using it, you need wear suitable protective clothing and gloves. You should refer to manufacturer/supplier for information on recovery/recycling. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(2)Std. InChI: InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
(3)Std. InChIKey: AJDIZQLSFPQPEY-UHFFFAOYSA-N
The toxicity data is as follows:
|Organism||Test Type||Route||Reported Dose (Normalized Dose)||Effect||Source|
|guinea pig||LC50||inhalation||> 12pph/2H (120000ppm)||Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 29, Pg. 381, 1968.|
|guinea pig||LDLo||oral||> 10gm/kg (10000mg/kg)||National Technical Information Service. Vol. OTS0520705,|
|mouse||LC50||inhalation||260gm/m3/2H (260000mg/m3)||BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
LUNGS, THORAX, OR RESPIRATION: CYANOSIS
|Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. Vol. 75, Pg. 241, 1963.|
|mouse||LD50||intravenous||9gm/kg (9000mg/kg)||AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC |
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
|National Technical Information Service. Vol. OTS0520355.|
|mouse||LD50||unreported||40gm/kg (40000mg/kg)||United States Patent Document. Vol. #4164653.|
|rabbit||LC50||inhalation||59500ppm/2H (59500ppm)||SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE |
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
|National Technical Information Service. Vol. OTS0520343,|
|rabbit||LD||skin||> 11gm/kg (11000mg/kg)||American Industrial Hygiene Association Journal. Vol. 29, Pg. 521, 1968.|
|rabbit||LDLo||oral||17gm/kg (17000mg/kg)||American Industrial Hygiene Association Journal. Vol. 29, Pg. 521, 1968.|
|rat||LC50||inhalation||38500ppm/4H (38500ppm)||BEHAVIORAL: GENERAL ANESTHETIC |
|National Technical Information Service. Vol. OTS0520341,|
|rat||LD50||oral||43gm/kg (43000mg/kg)||BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
GASTROINTESTINAL: OTHER CHANGES
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
|Journal of Medicinal Chemistry. Vol. 7, Pg. 378, 1964.|
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