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76-16-4

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Basic Information
CAS No.: 76-16-4
Name: Hexafluoroethane
Molecular Structure:
Molecular Structure of 76-16-4 (Hexafluoroethane)
Formula: C2F6
Molecular Weight: 138.012
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;
EINECS: 200-939-8
Density: 1.463 g/cm3
Melting Point: -100 °C(lit.)
Boiling Point: -78 °C(lit.)
Appearance: colourless gas
Hazard Symbols: IrritantXi
Safety: 38
Transport Information: UN 2193 2.2
PSA: 0.00000
LogP: 2.11100
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

(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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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
ConditionsYield
for 144h; Irradiation;A 7 mg
B 0.3%
C 26%
D 69%
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 610℃; Product distribution; various reaction conditions;A 31%
B 46%
C 34%
D 18%
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Consensus Reports

Reported in EPA TSCA Inventory.

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.