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1,1,2-Trichlorotrifluoroethane

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Name

1,1,2-Trichlorotrifluoroethane

EINECS 200-936-1
CAS No. 76-13-1 Density 1.67 g/cm3
Solubility insoluble in water Melting Point -35 °C(lit.)
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
Safety 59-61-45-36/37 Risk Codes 52/53-59-39/23/24/25
Molecular Structure Molecular Structure of 76-13-1 (1,1,2-Trichlorotrifluoroethane) Hazard Symbols DangerousN,IrritantXi,ToxicT
Synonyms

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;

 

1,1,2-Trichlorotrifluoroethane Consensus Reports

Reported in EPA TSCA Inventory.

1,1,2-Trichlorotrifluoroethane Standards and Recommendations

OSHA PEL: TWA 1000 ppm; STEL 1250 ppm
ACGIH TLV: TWA 1000 ppm; STEL 1250 ppm; Not Classifiable as a Human Carcinogen
DFG MAK: 500 ppm (3900 mg/m3)

1,1,2-Trichlorotrifluoroethane Analytical Methods

For occupational chemical analysis use NIOSH: 1,1,2-Trichloro-1,2,2-trifluoroethane, 1020.

1,1,2-Trichlorotrifluoroethane Specification

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%.

Ethane,1,1,2-trichloro-1,2,2-trifluoro- can be prepared by 1,1,2,2-tetrachloro-1,2-difluoro-ethane at the temperature of 20 - 25 °C

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%.

Ethane,1,1,2-trichloro-1,2,2-trifluoro- can be used to produce 1,1-dichloro-1,2,2-trifluoro-octane at the temperature of 40 °C

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:
(1)SMILES: ClC(F)(F)C(Cl)(Cl)F
(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)

BEHAVIORAL: ATAXIA

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

BEHAVIORAL: EXCITEMENT

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

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ATAXIA
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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