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Cas Database

Name	Hexafluoroethane	EINECS	200-939-8
CAS No.	76-16-4	Density	1.463 g/cm³
PSA	0.00000	LogP	2.11100
Solubility	N/A	Melting Point	-100 °C(lit.)
Formula	C₂F₆	Boiling Point	-78 °C(lit.)
Molecular Weight	138.012	Flash Point	N/A
Transport Information	UN 2193 2.2	Appearance	colourless gas
Safety	38	Risk Codes	N/A
Molecular Structure		Hazard Symbols	Xi
Synonyms	Ethane,hexafluoro- (8CI,9CI);Ethyl hexafluoride;F 116;F 116 (fluorocarbon);FC 116;FC 1160;Freon 116;HFC 116;Hexafluoroethane;PFC 116;Perfluorocarbon 116;Perfluoroethane;R 116;	Article Data	349

Hexafluoroethane Synthetic route

: 811-97-2
1,1,1,2-tetrafluoroethane

A: 354-33-6
1,1,1,2,2-pentafluoroethane

B: 75-10-5
Difluoromethane

C: 75-46-7
trifluoromethan

D: 76-16-4
Hexafluoroethane

Conditions

Conditions	Yield
With fluorine at 200 - 250℃; Product distribution; Further Variations:; Reagents;	A 1.1% B 0.9% C 0.4% D 97.6%

: 3802-95-7
Perfluoromethyl azide

A: 75-73-0
carbon tetrafluoride

B: 76-16-4
Hexafluoroethane

C: 335-01-3
difluoramino trifluoromethane

Conditions

Conditions	Yield
With fluorine at 70℃; for 48h;	A 6% B 2% C 92%

: 116-14-3
polytetrafluoroethylene

: 12536-35-5
Te4(2+)*2AsF6(1-)=Te4(AsF6)2

A: 76-16-4
Hexafluoroethane

B: 41055-97-4
bis(pentafluoroethyl)tellurium

C: 41055-98-5
bis(pentafluoroethyl) ditelluride

D: 55620-41-2
pentafluoroethyl(nonafluorobutyl)tellurium

E: 7784-35-2
arsenic(III) fluoride

Conditions

Conditions	Yield
at 100°C for 11 d, at 15 atm in a Monel reactor;	A n/a B 87% C 12.2% D 0.5% E n/a
at 100°C for 11 d, at 15 atm in a Monel reactor;	A n/a B 87% C 12.2% D 0.5% E n/a
at 100°C for 11 d, at 15 atm in a Monel reactor;	A n/a B 87% C 12.2% D 0.5% E n/a

...Expand

: (Rh(CO)(P(C6H5)3)2)2*2C4H8O

: 2314-97-8
iodotrifluoromethane

A: 21006-49-5, 15094-66-3, 87584-88-1
rhodium iodo carbonyl (triphenylphosphine)2 complex

B: 76-16-4
Hexafluoroethane

Conditions

Conditions	Yield
In tetrahydrofuran a suspn. of Rh complex in THF and CF3I in 1:2 molar ratio sealed in vacuo in a Pyrex reaction tube was either stirred or shaken for 4 h at 20°C; volatiles were removed under vac., trapped at -196°C and analyzed by GLC, residue was chromd. using hexane followed by benzene or CHCl3 as eluent, and recrystd. from a mixt. of either CHCl3 and EtOH or benzene and MeOH;	A 44% B 79%
In tetrahydrofuran a suspn. of Rh complex in THF and CF3I in 1:1 molar ratio sealed in vacuo in a Pyrex reaction tube was either stirred or shaken for 50 h at 20°C; 43% of the starting solvate was recovered; volatiles were removed under vac., trapped at -196°C and analyzed by GLC, residue was chromd. using hexane followed by benzene or CHCl3 as eluent, and recrystd. from a mixt. of either CHCl3 and EtOH or benzene and MeOH;	A 26% B 46%

Yield

In tetrahydrofuran a suspn. of Rh complex in THF and CF3I in 1:2 molar ratio sealed in vacuo in a Pyrex reaction tube was either stirred or shaken for 4 h at 20°C; volatiles were removed under vac., trapped at -196°C and analyzed by GLC, residue was chromd. using hexane followed by benzene or CHCl3 as eluent, and recrystd. from a mixt. of either CHCl3 and EtOH or benzene and MeOH;

A 44%
B 79%

In tetrahydrofuran a suspn. of Rh complex in THF and CF3I in 1:1 molar ratio sealed in vacuo in a Pyrex reaction tube was either stirred or shaken for 50 h at 20°C; 43% of the starting solvate was recovered; volatiles were removed under vac., trapped at -196°C and analyzed by GLC, residue was chromd. using hexane followed by benzene or CHCl3 as eluent, and recrystd. from a mixt. of either CHCl3 and EtOH or benzene and MeOH;

A 26%
B 46%

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

A: 76-16-4
Hexafluoroethane

B: 76-15-3
Chloropentafluoroethane

C: 76-14-2
1,2-dichloro-1,1,2,2-tetrafluoroethane

Conditions

Conditions	Yield
With chromium fluoride; magnesium fluoride; hydrogen fluoride at 250 - 500℃; Product distribution;	A 3% B 78% C 19%

: 10036-47-2
tetrafluorohydrazine

: 354-67-6
pentafluoro(1,1,2,2,2-pentafluoroethyl)-λ6-sulfane

A: 75-73-0
carbon tetrafluoride

B: 76-16-4
Hexafluoroethane

C: 354-80-3
Perfluoroethylamine

D: 7783-60-0
sulfur tetrafluoride

E: 2551-62-4
sulphur hexafluoride

Conditions

Conditions	Yield
NF3 formed too;	A n/a B n/a C 70% D n/a E n/a
NF3 formed too;	A n/a B n/a C 70% D n/a E n/a

...Expand

: 1630-78-0
(E)-1,2-difluoroethene

: 684-16-2
Hexafluoroacetone

A: 76-16-4
Hexafluoroethane

B: 75995-72-1
1,1,1,2,3,4,4,4-octafluorobutane

: 74960-13-7, 74960-20-6
cis-2,2-bis(trifluoromethyl)-3,4-difluoro-oxetan

: 74960-13-7, 74960-20-6
trans-2,2-bis(trifluoromethyl)-3,4-difluoro-oxetan

Conditions

Conditions	Yield
for 144h; Irradiation;	A 7 mg B 0.3% C 26% D 69%

...Expand

: 1520-70-3
Ethanesulfonamide

A: 76-16-4
Hexafluoroethane

B: 754-03-0
ethanesulfonyl fluoride

C: 335-05-7
Trifluoromethanesulfonyl fluoride

D: 354-87-0
pentafluoroethanesulfonyl fluoride

Conditions

Conditions	Yield
With hydrogen fluoride current: 4.5 to 5.5 V; 0.3 to 0.6 Adm-2; Further byproducts given;	A 2.1% B 3.1% C n/a D 54.9%

: 2314-97-8
iodotrifluoromethane

A: 76-16-4
Hexafluoroethane

B: 74228-31-2
(13)C-trifluoroiodomethane

Conditions

Conditions	Yield
With silver for 1h; Product distribution; Irradiation; further metal; addition of NO; investigation of isotopic selectivity;	A n/a B 54%

: 76293-22-6
cis-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-p-dioxin

A: 76-16-4
Hexafluoroethane

B: 1630-77-9
(Z)-1,2-difluoro-ethene

C: 1630-78-0
(E)-1,2-difluoroethene

D: 685-24-5
1,1,1,4,4,4-hexafluoro-2,3-butanedione

Conditions

Conditions	Yield
at 610℃; Product distribution; various reaction conditions;	A 31% B 46% C 34% D 18%

Hexafluoroethane Consensus Reports

Reported in EPA TSCA Inventory.

Hexafluoroethane Specification

The Hexafluoroethane ,its cas register number is 76-16-4.It also can be called as Perfluoroethane and the IUPAC name about this chemicals is 1,1,1,2,2,2-Hexafluoroethane .It belongs to the refrigerants and organics.Following are the chemical properties about this chemicals: (1)Index of Refraction: 1.202 ; (2)Molar Refractivity: 12.22 cm³ ; (3)Molar Volume: 94.3 cm³ ; (4)Surface Tension: 8 dyne/cm ; (5)Enthalpy of Vaporization: 16.15 kJ/mol ; (6)Vapour Pressure: 23700 mmHg at 25°C .It is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. Can react with strong oxidizing agents or weaker oxidizing agents under extremes of temperature.

The Hexafluoroethane is used as a versatile etchant in semiconductor manufacturing. It can be used for selective etching of metal silicides and oxides versus their metal substrates and also for etching of silicon dioxide over silicon. In the using process, you need to wear suitable respiratory equipment in case of insufficient ventilation. Except these safty informations, there are also exist other data like WGK Germany is 3,RTECS is KI4110000,Hazard Note is Irritant and TSCA is T ,also HazardClass about it is 2.2.

The Hexafluoroethane is a colorless, odorless gas and is relatively inert. The mixture is nonflammable and nontoxic, though asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. This chemicals is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. It also can react with strong oxidizing agents or weaker oxidizing agents under extremes of temperature.

This chemicals can be described computed from structure:
(1)Canonical SMILES: C(C(F)(F)F)(F)(F)F
(2)InChI: InChI=1S/C2F6/c3-1(4,5)2(6,7)8
(3)InChIKey: WMIYKQLTONQJES-UHFFFAOYSA-

The most important thing about Hexafluoroethane is the toxicity, following is the form:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC	inhalation	> 20pph/2H (200000ppm)		Journal of Occupational Medicine. Vol. 4, Pg. 262, 1962.

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