CAS No.76-13-1,1,1,2-Trichlorotrifluoroethane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76-13-1
Name:	1,1,2-Trichlorotrifluoroethane
Article Data:	75

Formula:	C₂Cl₃F₃
Molecular Weight:	187.376
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;
EINECS:	200-936-1
Density:	1.67 g/cm³
Melting Point:	-35 °C(lit.)
Boiling Point:	50.9 °C at 760 mmHg
Flash Point:	195°C
Solubility:	insoluble in water
Appearance:	Colorless liquid with a sweet, ether-like odor
Hazard Symbols:	N,Xi,T
Risk Codes:	52/53-59-39/23/24/25
Safety:	59-61-45-36/37
Transport Information:	UN 3082 9/PG 3
PSA:	0.00000
LogP:	2.91890

Synthetic route

: 67-72-1
hexachloroethane

: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

Conditions

Conditions	Yield
With aluminum(III) fluoride; hydrogen fluoride at 120℃; under 11251.1 Torr; for 10h; Reagent/catalyst; Temperature; Autoclave;	97.06%
With CFC-112a; antimonypentachloride; fluorine at 32℃; unter vermindertem Druck;
With antimonypentachloride; antimony(III) fluoride at 48℃;

: 7740-58-1
1,2,2-trifluorodichloroethanesulfonyl chloride

A: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

B: 7446-09-5
sulfur dioxide

Conditions

Conditions	Yield
200°C, 7 days;	A 97% B 97%
100°C, 7 days;	A 19% B 18%

: 79-38-9
Chlorotrifluoroethylene

: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

Conditions

Conditions	Yield
With benzophenone; chlorine at -80℃;	92%

: 76-12-0
CFC-112a

: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

Conditions

Conditions	Yield
With bromine trifluoride; antimonypentachloride In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20 - 25℃;	90%
With chromium(III) oxyfluoride; hydrogen fluoride at 500℃;

: 79-38-9
Chlorotrifluoroethylene

: 53268-50-1
chloro(trifluoromethyl)disulfane

A: 55882-11-6
2,2-dichlorotrifluoroethyl(trifluoromethyl)disulfane

B: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

C: 372-07-6
bis(trifluoromethyl)tetrasulfide

D: 55882-10-5
1,2-dichlorotrifluoroethyl(trifluoromethyl)disulfane

Conditions

Conditions	Yield
Irradiation (UV/VIS);	A n/a B n/a C n/a D 80%
Irradiation (UV/VIS);	A n/a B n/a C n/a D 80%

...Expand

: 695-50-1
1,2-dichlorotetrafluorocyclopropane

A: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

B: 1,3-dichloro-1,2,2,3-tetrafluoro-1,3-diiodo-propane

Conditions

Conditions	Yield
With iodine at 140 - 165℃; for 4h;	A n/a B 63%

: 79-01-6
Trichloroethylene

A: 354-15-4
1,2,2-trichloro-1,2-difluoroethane

B: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

Conditions

Conditions	Yield
With hydrogen fluoride; fluorine In trichlorofluoromethane at -70℃; for 4h; Product distribution / selectivity; Inert atmosphere;	A 50% B 18%

: 79-38-9
Chlorotrifluoroethylene

: 1768-32-7
sulfur bis(trifluoromethyl)amide chloride

A: 34994-73-5
2,4-dichlorohexafluorothiolane

B: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

C: 81619-76-3
N,N-bistrifluoromethyl-2,2-dichlorotrifluoroethanesulfenamide

D: S-(1,2-Dichloro-1,2,2-trifluoro-ethyl)-N,N-bis-trifluoromethyl-thiohydroxylamine

Conditions

Conditions	Yield
for 528h; Irradiation; Further byproducts given;	A 11% B 16% C 31% D 31%

...Expand

: 79-38-9
Chlorotrifluoroethylene

: 1768-32-7
sulfur bis(trifluoromethyl)amide chloride

A: 423-38-1
1,1,3,4-Tetrachlorohexafluorobutane

B: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

C: 81619-76-3
N,N-bistrifluoromethyl-2,2-dichlorotrifluoroethanesulfenamide

D: S-(1,2-Dichloro-1,2,2-trifluoro-ethyl)-N,N-bis-trifluoromethyl-thiohydroxylamine

Conditions

Conditions	Yield
for 528h; Irradiation; Further byproducts given;	A 6.5% B 16% C 31% D 31%

...Expand

: 79-38-9
Chlorotrifluoroethylene

: 1768-32-7
sulfur bis(trifluoromethyl)amide chloride

A: 76-13-1
1,1,2-Trichloro-1,2,2-trifluoroethane

B: 1913-85-5
sulfur bis{bis(trifluoromethyl)amide}

C: 81619-76-3
N,N-bistrifluoromethyl-2,2-dichlorotrifluoroethanesulfenamide

D: S-(1,2-Dichloro-1,2,2-trifluoro-ethyl)-N,N-bis-trifluoromethyl-thiohydroxylamine

Conditions

Conditions	Yield
for 528h; Irradiation; Further byproducts given;	A 16% B 15% C 31% D 31%

...Expand

Raw Materials

56-23-5

598-88-9

354-11-0

2837-89-0

79-38-9

79-34-5

75-71-8

75-35-4

Downstream Products

359-10-4

306-83-2

76-12-0

75-46-7

75-38-7

359-11-5

75-69-4

76-16-4

Total:53 Page 1 of 2 1 2 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

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)

Analytical Methods

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

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.