CAS No.306-94-5,Perfluorodecalin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	306-94-5
Name:	Perfluorodecalin

Formula:	C₁₀F₁₈
Molecular Weight:	462.081
Synonyms:	Naphthalene,octadecafluorodecahydro- (6CI,7CI,8CI,9CI);APF 140;Decalin perfluoride;FDC;Flutec PP 5;Flutec PP 6;Flutec PP 7;NSC 97066;Octadecafluorodecahydronaphthalene;Octadecafluorodecalin;PP 5;PP 6;Perflunafene;Perfluorodecahydronaphthalene;
EINECS:	206-192-4
Density:	1.83 g/cm³
Melting Point:	-10 °C(lit.)
Boiling Point:	143.1 °C at 760 mmHg
Flash Point:	46.4 °C
Solubility:	Insoluble in water
Appearance:	clear colourless liquid
Hazard Symbols:	Xi, F
Risk Codes:	10
Safety:	23-24/25-41-16
Transport Information:	UN 1993 3/PG 3
PSA:	0.00000
LogP:	5.51260

Synthetic route

: 91-20-3
naphthalene

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

Conditions

Conditions	Yield
With silver(II) fluoride at 225 - 330℃;
With nickel(II) fluoride; cobalt (III) fluoride; fluorine 1.) 450 deg C, 2.) 450-500 deg C; Multistep reaction;
With silver(II) fluoride at 225 - 330℃;

: 119-64-2
tetralin

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

Conditions

Conditions	Yield
With silver plated copper; fluorine at 350 - 380℃;

: 91-17-8
decalin

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

Conditions

Conditions	Yield
With silver(II) fluoride at 225 - 330℃;
With silver(II) fluoride at 225 - 330℃;

: 90-13-1
1-Chloronaphthalene

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

Conditions

Conditions	Yield
With silver(II) fluoride at 225 - 330℃;
With silver(II) fluoride at 225 - 330℃;

: 313-72-4
octafluoronaphthalene

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

Conditions

Conditions	Yield
With antimony pentafluoride at 300℃;

: (2,3,7,8,12,13,17,18-octakis(ethylsulfanyl)-5,10,15,20-tetraazaporphyrinato)manganese(II)

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

: fluoro(2,3,7,8,12,13,17,18-octakis(ethylsulfanyl)-5,10,15,20-tetraazaporphyrinato)manganese(III)

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: C10F14, C10F13; react. of Mn complex with large excess of perfluorodecalin (molar ratio1:19) in THF at 20°C; detd. by GC and GC/MS;	95%

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

: C24H23N3NiO2

A: 313-72-4
octafluoronaphthalene

B: C24H22FN3NiO2

Conditions

Conditions	Yield
In tetrahydrofuran-d8 at 20℃; for 72h;	A n/a B 94%

...Expand

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

: 60470-36-2
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-8-imino-3,4,5,6,7,8-hexahydro-2H-naphthalene-1,4a-diamine

Conditions

Conditions	Yield
With ammonia; mercury Irradiation;	92%

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

: (hydrotris(3,5-dimethylpyrazolyl)borate)2U(CH2Ph)

: (hydrotris(3,5-dimethylpyrazolyl)borate)2UF

Conditions

Conditions	Yield
In tetrahydrofuran for 1h; Inert atmosphere;	68%

: 306-94-5
octadecafluorodecahydronaphthalene (cis+trans)

: 930-69-8
sodium thiophenolate

: 86831-17-6
octakis(phenylthio)naphthalene

Conditions

Conditions	Yield
With 1,3-dimethyl-2-imidazolidinone at 50 - 60℃; for 240h;	65%

Raw Materials

91-17-8

119-64-2

313-72-4

90-13-1

91-20-3

Downstream Products

313-72-4

2342-07-6

784-00-9

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Production

C₁₀F₁₈

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Perfluorodecalin with the cas number 306-94-5, is also called (1) Naphthalene, octadecafluorodecahydro- ; (2)Octadecafluorodecahydronaphthalene ; (3) Perflunafeno ; (4) Perflunafenum ; (5) Perfluorodecahydronaphthalene ; (6) Perfluorodecalin ; (7)Naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydro-; (8) Naphthalene, decahydrooctadecafluoro- ; (9) Perflunafene. It belongs to the following product categories: (1)Purine; (2)Fluorous Chemistry; (3)Fluorous Solvents and so on.

Properties of Perfluorodecalin are: (1)ACD/LogP: 6.03 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 6.03 ; (4)ACD/LogD (pH 7.4): 6.03 ; (5)ACD/BCF (pH 5.5): 22400.93 ; (6)ACD/BCF (pH 7.4): 22400.93 ; (7)ACD/KOC (pH 5.5): 45238.29 ; (8)ACD/KOC (pH 7.4): 45238.29 ; (9)#H bond acceptors: 0 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area:Å² ; (13)Index of Refraction: 1.295 ; (14)Molar Refractivity: 46.48 cm³ ; (15)Molar Volume: 251.8 cm³ ; (16)Polarizability: 18.42 ×10^-24cm³ ; (17)Surface Tension: 15.4 dyne/cm ; (18)Density: 1.83 g/cm³ ; (19)Flash Point: 46.4 °C ; (20)Enthalpy of Vaporization: 36.46 kJ/mol ; (21)Boiling Point: 143.1 °C at 760 mmHg ; (22)Vapour Pressure: 6.8 mmHg at 25°C

People show a great interest in Perfluorodecalin for medical applications which utilizes its ability to dissolve large amounts of oxygen (100 ml of perfluorodecalin at 25°C will dissolve 49 ml of oxygen at STP. Perfluorodecalin being studied can be applied to to accelerate wound healing by providing extra oxygen to a specific location. Besides,oxygenated perfluorodecalin can prolong retention time of organs and tissues.

The Octafluoronaphthalene can be obtained from Perfluorodecalin with many condtions, for instance,(1) -70 deg C to rt for 1.5 hour(s) in tetrahydrofuran. Yield is 62 % . (2) Ambient temperature, for 12 hour(s) in diethyl ether. Yield is 53 %.

Besides, Perfluorodecalin can generate Octafluoronaphthalene and Perfluortetralin with temperature 465°C. Yield is 10 %.

You can still convert the following datas into molecular structure :
1. FC2(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)F
2. InChI=1/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16

The Perfluorodecalin toxic data can be showed in the following sheet.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	50mg/kg (50mg/kg)	Problemy Gematologii i Perelivaniia Krovi. Problems of Hematology and Blood Transfusion. Vol. 27(10), Pg. 8, 1982.
mouse	LD50	unreported	30800mg/kg (30800mg/kg)	Bulletin of Experimental Biology and Medicine Vol. 90, Pg. 1513, 1980.
rat	LC	inhalation	> 8647ppm/1H (8647ppm)	National Technical Information Service. Vol. PB81-156911,
rat	LD	oral	> 100mL/kg (100mL/kg)	Personal Communication from Dr. G.F. May, BNFL Fluorochemicals Ltd., Bldg. 619, Springfields, Salwick, Preston, Lancashire PR4 OXJ. UK, Aug. 25, 1995.Vol. 25AUG1995,