Name: 1,1-Dichloro-2,2,2-trifluoroethane
SKU: 306-83-2

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Basic Information

Molecular Structure:
CAS No.:	306-83-2
Name:	1,1-Dichloro-2,2,2-trifluoroethane

Formula:	C₂HCl₂F₃
Molecular Weight:	152.931
Synonyms:	1,1,1-Trifluoro-2,2-dichloroethane;1,1,1-Trifluorodichloroethane;2,2-Dichloro-1,1,1-trifluoroethane;CFC 123;Dichloro(trifluoromethyl)methane;F 123 (halocarbon);FC 123;Freon 123;Fron 123;HFA 123;Khladon 123;R 123;Solkane 123;Dichlorotrifluoroethane;
EINECS:	206-190-3
Density:	1.513 g/cm³
Melting Point:	-107 °C
Boiling Point:	30.112 °C at 760 mmHg
Flash Point:	-34.591 °C
Solubility:	2.1g/L at 25℃
Appearance:	Colorless nonflammable gas
Hazard Symbols:	T,Xi
Risk Codes:	23/24/25-39-39/23/24/25
Safety:	36/37-45
Transport Information:	UN 3163
PSA:	0.00000
LogP:	2.35240

Synthetic route

: 127-18-4
1,1,2,2-tetrachloroethylene

: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

Conditions

Conditions	Yield
With hydrogen fluoride; antimony pentafluoride at 120℃; under 11251.1 Torr; for 7h; Reagent/catalyst; Temperature; Autoclave;	94.2%

: 127-18-4
1,1,2,2-tetrachloroethylene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 354-21-2
1,1,2-trichloro-2,2-difluoroethane

C: 354-14-3
freon-121

D: 2837-89-0
1,1,1,2-tetrafluoro-2-chloroethane

Conditions

Conditions	Yield
With hydrogen fluoride; antimony(III) fluoride; antimony pentafluoride at 125 - 139℃; under 16351.6 - 18376.8 Torr; for 3.7h;	A 92.4% B 0.9% C 0.01% D 0.4%
With hydrogen fluoride; antimony(III) fluoride; antimony pentafluoride at 122 - 140℃; under 17926.8 - 20252 Torr; for 3.6h;	A 89.8% B 0.3% C 0.08% D 3.1%
With hydrogen fluoride; antimony(III) fluoride; antimony pentafluoride at 124 - 140℃; under 18001.8 - 19201.9 Torr; for 3.1h;	A 87.2% B 1.1% C 0.01% D 0.5%

...Expand

: 354-58-5
1,1,1-Trichloro-2,2,2-trifluoroethane

: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

Conditions

Conditions	Yield
With ammonium persulfate; ammonium formate In N,N-dimethyl-formamide at 30 - 40℃;	82%
With sodium hypophosphite; sodium acetate; platinum on activated charcoal In acetic acid at 40℃; for 4h;	92 % Spectr.
With tetrahydrofuran; iron In hexane at 90℃; under 6080 Torr; Substitution;

: 127-18-4
1,1,2,2-tetrachloroethylene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 354-21-2
1,1,2-trichloro-2,2-difluoroethane

C: 2837-89-0
1,1,1,2-tetrafluoro-2-chloroethane

Conditions

Conditions	Yield
With hydrogen fluoride; antimony(III) fluoride; antimony pentafluoride at 129 - 143℃; under 17626.8 - 19502 Torr; for 4.1h;	A 80.5% B 0.3% C 5.1%
With hydrogen fluoride; antimony pentafluoride at 135 - 143℃; under 18751.9 Torr; for 2.7h;	A 26% B 0.6% C 25.8%

...Expand

: 127-18-4
1,1,2,2-tetrachloroethylene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 354-21-2
1,1,2-trichloro-2,2-difluoroethane

Conditions

Conditions	Yield
With hydrogen fluoride; chlorine; antimony pentafluoride at 126 - 148℃; under 17251.7 - 20252 Torr; for 7.1h;	A 51.5% B 44%
With hydrogen fluoride; antimony pentafluoride at 145 - 148℃; under 19126.9 Torr; for 4.6h;	A 27.7% B 39.8%
With hydrogen fluoride; antimony pentafluoride at 106 - 147℃; under 16126.6 - 18001.8 Torr; for 5.3h;	A 21.1% B 30.5%

: 434-41-3
2-chloro-heptafluoro-2-butene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 118361-33-4, 118361-34-5
2,3-epoxy-2-chloroheptafluorobutane

Conditions

Conditions	Yield
With sodium hypochlorite In acetonitrile for 4.5h; Product distribution; other reagent, solvent;	A n/a B 31%
With sodium hypochlorite In acetonitrile for 4.5h; Yields of byproduct given;	A n/a B 31%

: 79-43-6
dichloro-acetic acid

: 106-42-3
para-xylene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 2-(2,2-Dichloro-1,1-difluoro-ethyl)-1,4-dimethyl-benzene

Conditions

Conditions	Yield
With sulfur tetrafluoride at 80 - 90℃; for 3h;	A n/a B 27%
With sulfur tetrafluoride at 80 - 90℃; for 3h;

...Expand

: 2-chloro-6-hydrodecafluoro-2-hexene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 4-hydrohexafluorobutanoic acid sodium salt

: 2,3-epoxy-2-chloro-6-hydrodecafluorohexane

: 2,3-epoxy-2-chloro-6-hydrodecafluorohexane

Conditions

Conditions	Yield
With sodium hypochlorite In acetonitrile for 14h; Ambient temperature; Yields of byproduct given;	A 13% B n/a C n/a D n/a
With sodium hypochlorite In acetonitrile for 14h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;	A 13% B n/a C n/a D n/a

...Expand

: 79-43-6
dichloro-acetic acid

: 108-67-8
1,3,5-trimethyl-benzene

A: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

B: 55007-76-6
2,2-dichloro-1-mesityl-ethanone

C: 2-(2,2-Dichloro-1,1-difluoro-ethyl)-1,3,5-trimethyl-benzene

Conditions

Conditions	Yield
With sulfur tetrafluoride at 50 - 60℃; for 3h;	A n/a B 12% C 6.5%
With sulfur tetrafluoride at 50 - 60℃; for 3h;	A n/a B 12% C 6.5%
With sulfur tetrafluoride at 50 - 60℃; for 3h;

...Expand

: 420-46-2
2,2,2-trifluoroethanol

: 306-83-2
1,1,1-trifluoro-2,2-dichloroethane

Conditions

Conditions	Yield
With chlorine at 497℃;

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

Specification

The 1,1-Dichloro-2,2,2-trifluoroethane, with the CAS registry number 306-83-2, is also known as Dichlorotrifluoroethane. It belongs to the product categories of HCFC; Refrigerants; Organics; CFCsVolatiles/ Semivolatiles; FM - FZChromatography; Air Monitoring Standards; Allergens; Alpha Sort; Cosmetics; E-LAlphabetic; F; General Use. Its EINECS number is 206-190-3. This chemical's molecular formula is C₂HCl₂F₃and molecular weight is 152.93. What's more, its systematic name is 2,2-Dichloro-1,1,1-trifluoroethane. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Mutation data; (3)Reproductive Effect; (4)Skin / Eye Irritant; (5)TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule)under TSCA]; (6)Tumor data. This chemical is mainly used in refrigerating system, and it is also used as vesicant and detergent.

Physical properties of 1,1-Dichloro-2,2,2-trifluoroethane are: (1)ACD/LogP: 2.381; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.95; (6)ACD/BCF (pH 7.4): 37.95; (7)ACD/KOC (pH 5.5): 469.90; (8)ACD/KOC (pH 7.4): 469.90; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.344; (13)Molar Refractivity: 21.429 cm³; (14)Molar Volume: 101.086 cm³; (15)Polarizability: 8.495×10^-24cm³; (16)Surface Tension: 18.498 dyne/cm; (17)Density: 1.513 g/cm³; (18)Flash Point: -34.591 °C; (19)Enthalpy of Vaporization: 26.43 kJ/mol; (20)Boiling Point: 30.112 °C at 760 mmHg; (21)Vapour Pressure: 632.98 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1,1-trichloro-2,2,2-trifluoro-ethane at the temperature of 30 - 40 °C. This reaction will need reagents ammonium formate, ammonium persulfateand solvent dimethylformamide. The yield is about 82%.

1,1-Dichloro-2,2,2-trifluoroethane can be prepared by 1,1,1-trichloro-2,2,2-trifluoro-ethane at the temperature of 30 - 40 °C

Uses of 1,1-Dichloro-2,2,2-trifluoroethane: it can be used to produce 2,2-dichloro-1,1,1-trifluorononan-3-ol at the ambient temperature. It will need reagents iodobenzene, tetrabutylammonium tetrafluoroborate and solvent dimethylformamide with the reaction time of 5.6 hours. The yield is about 53%.

1,1-Dichloro-2,2,2-trifluoroethane can be used to produce 2,2-dichloro-1,1,1-trifluorononan-3-ol at the ambient temperature

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 has a danger of very serious irreversible effects. When using it, you need to wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)C(F)(F)F
(2)Std. InChI: InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
(3)Std. InChIKey: OHMHBGPWCHTMQE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	74000ppm/1H (74000ppm)		British Journal of Anesthesia. Vol. 37, Pg. 716, 1965.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		National Technical Information Service. Vol. OTS0530597,
rat	LC50	inhalation	32000ppm/4H (32000ppm)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0530611,
rat	LD50	skin	> 2gm/kg (2000mg/kg)		National Technical Information Service. Vol. OTS0530598,
rat	LDLo	oral	9gm/kg (9000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	National Technical Information Service. Vol. OTS0530608,

306-83-2

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Consensus Reports

Standards and Recommendations

Specification