Name: Perfluoropropane
SKU: 76-19-7

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Basic Information

Molecular Structure:
CAS No.:	76-19-7
Name:	Perfluoropropane

Formula:	C₃F₈
Molecular Weight:	188.02
Synonyms:	Propane,octafluoro- (6CI,8CI,9CI);DMP 115;Definity;F 218;FC 218;FC 218(refrigerant);FS 069;Freon 218;Genetron 218;HFC 218;Khladon 218;MRH 815H;MRX 115;Meforex 218;Octafluoropropane;Optison;PFC 218;Perfluoropropane;Perflutren;R 218;UN 2424;YM 454;Meforex 218;Octafluoropropane;Propane, 1,1,1,2,2,3,3,3-octafluoro-;,1,1,2,2,3,3,3-octafluoropropane;
EINECS:	200-941-9
Density:	1.543 g/cm³
Melting Point:	-183 °C
Boiling Point:	-39 °C
Appearance:	colorless, odorless gas
Hazard Symbols:	F
Safety:	9-23-38
PSA:	0.00000
LogP:	2.74630

Synthetic route

: 116-15-4
perfluoropropylene

: 76-19-7
freon-218

Conditions

Conditions	Yield
With xenon difluoride; silicon tetrafluoride at 90℃; for 13h; Fluorination;	95%
With nickel(II) fluoride; fluorine at 100℃;	62%
With AgFAsF6 In hydrogen fluoride at -196 - -70℃; for 0.0833333h; Yield given;
With cobalt (III) fluoride; Hexafluoroethane at 92℃; for 0.0333333h; Rate constant; Product distribution; var. time, var. temp.;
With fluorine at -20℃; under 1125.11 Torr; for 7.22222E-06h;

: 463-49-0
1,2-propanediene

A: 75-73-0
carbon tetrafluoride

B: 76-19-7
freon-218

Conditions

Conditions	Yield
With fluorine; sodium fluoride at -100 - -10℃; for 12h;	A n/a B 84%

: 116-15-4
perfluoropropylene

A: 428-59-1
Hexafluoropropene oxide

B: 76-19-7
freon-218

C: C3F12OSe

D: C3F16O2Se2

Conditions

Conditions	Yield
With xenon bis-pentafluoroseleniumoxide at 65℃; for 84h;	A 36% B n/a C 51% D 11%

...Expand

: 24243-71-8
propane-1-sulfonamide

A: 76-19-7
freon-218

B: 76-16-4
Hexafluoroethane

C: 754-03-0
ethanesulfonyl fluoride

D: 423-40-5
1-perfluoropropanesulfonyl 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 2.8% B 3.1% C 4.3% D 40%

...Expand

: 67-64-1
acetone

A: 76-19-7
freon-218

B: 354-34-7
trifluoroacetyl fluoride

C: 684-16-2
Hexafluoroacetone

Conditions

Conditions	Yield
With copper; sodium fluoride at -100℃;	A n/a B n/a C 39%
With copper; sodium fluoride at -100℃; Mechanism;	A n/a B n/a C 39%
With copper; sodium fluoride at -100℃;

...Expand

: 105062-53-1
C3F17IO2Te2

A: 76-19-7
freon-218

B: 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

C: 91600-26-9
C3F12OTe

D TeF6: TeF6

Conditions

Conditions	Yield
at 115℃; for 26h;	A n/a B n/a C 30% D n/a

...Expand

: 423-41-6
perfluoropropanesulfonic acid

A: 640723-20-2, 2699-79-8, 12769-73-2
fluorosulfonyl fluoride

B: 353-50-4
Carbonyl fluoride

C: 76-19-7
freon-218

D: 422-61-7
perfluoropropanoyl fluoride

E: 7446-09-5
sulfur dioxide

Conditions

Conditions	Yield
in Pt tube at 500°C, 1 h, incomplete reaction;	A n/a B n/a C 19% D 23% E n/a

...Expand

: 142-84-7
di-n-propylamine

A: 76-19-7
freon-218

B: 423-32-5
N,N-Difluor-heptafluor-n-propylamin

C: 356-64-9
2,2,3,3,3-pentafluoro-N-(perfluoropropyl)propanimidoyl fluoride

D: 1554-24-1
F-(N-F-Fluoro,N,N-di-n-propylamine)

Conditions

Conditions	Yield
With hydrogen fluoride at 7 - 8℃; Fluorination; Cleavage; Electrolysis;	A 20.1% B 1.3% C 1.8% D 7.8%
With hydrogen fluoride at 7 - 8℃; for 10.9167h; Fluorination; Cleavage; Electrolysis;	A n/a B n/a C 1.9% D 6.2%

...Expand

: 75-46-7
trifluoromethan

A: 116-14-3
polytetrafluoroethylene

B: 75-73-0
carbon tetrafluoride

C: 76-19-7
freon-218

D: 116-15-4
perfluoropropylene

E: 76-16-4
Hexafluoroethane

Conditions

Conditions	Yield
With activated carbon supported potassium at 799.84℃; under 750.075 Torr; Pyrolysis; Inert atmosphere;	A 16.1% B n/a C n/a D 14.4% E n/a

...Expand

: 20193-20-8
ethylpropylamine

A: 76-19-7
freon-218

B: 423-32-5
N,N-Difluor-heptafluor-n-propylamin

C: 2,2,3,3,3-pentafluoro-N-(1,1,2,2,2-pentafluoro-ethyl)-propionimidoyl fluoride

D: F-(N-Fluoro,N-ethyl,N-n-propylamine)

Conditions

Conditions	Yield
With hydrogen fluoride at 7 - 8℃; for 6.55h; Fluorination; Cleavage; Electrolysis;	A n/a B 2.6% C 2.4% D 2.8%

...Expand

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Specification

The Perfluoropropane, with the CAS registry number 76-19-7 and EINECS registry number 200-941-9, has the systematic nane of octafluoropropane. It belongs to the product categories of Refrigerants and Organics. And the molecular formula of the chemical is C₃F₈.

The characteristics of Perfluoropropane are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 61.32; (6)ACD/BCF (pH 7.4): 61.32; (7)ACD/KOC (pH 5.5): 662.5; (8)ACD/KOC (pH 7.4): 662.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.221; (14)Molar Refractivity: 17.15 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 6.8×10^-24cm³; (17)Surface Tension: 9.3 dyne/cm; (18)Density: 1.543 g/cm³; (19)Enthalpy of Vaporization: 20.82 kJ/mol; (20)Vapour Pressure: 6250 mmHg at 25°C.

Perfluoropropane is a kind of colorless, odorless gas. And it is relatively inert. The mixture is nonflammable and nontoxic, though asphyxiation may occur because of displacement of oxygen. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.

Uses of Perfluoropropane: It can react with benzoyl fluoride to produce Heptafluoro-1-methylethyl-phenylketon. This reaction will need reagent CsF, and the menstruum dimethylformamide. The reaction time is 3 hours, and the yield is about 95.1%.

While dealing with this chemical, you had better take the following instructions: Keep container in a well-ventilated place, and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). What's more, if in case of insufficient ventilation, wear suitable respiratory equipment.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C3F8/c4-1(5,2(6,7)8)3(9,10)11
(3)InChIKey: QYSGYZVSCZSLHT-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	intravenous	> 20mL/kg (20mL/kg)		International Journal of Toxicology. Vol. 17, Pg. 631, 1998.
monkey	LD	intravenous	> 20mL/kg (20mL/kg)		International Journal of Toxicology. Vol. 17, Pg. 631, 1998.
rabbit	LD	intramuscular	> 217uL/kg (0.217mL/kg)	BLOOD: HEMORRHAGE MUSCULOSKELETAL: OTHER CHANGES	International Journal of Toxicology. Vol. 17, Pg. 631, 1998.
rat	LDLo	intravenous	25mL/kg (25mL/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	International Journal of Toxicology. Vol. 17, Pg. 631, 1998.

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Specification