Perfluorooctyl bromide supplier

Name
PERFLUOROOCTYL BROMIDE
EINECS 207-028-4
CAS No. 423-55-2
Article Data11
CAS DataBase
Density 1.87 g/cm³
Solubility Not miscible or difficult to mix in water.
Melting Point 6 °C
Formula C₈BrF₁₇
Boiling Point 144 °C at 760 mmHg
Molecular Weight 498.965
Flash Point 40.9 °C
Transport Information
Appearance clear colorless liquid
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Octane,1-bromoheptadecafluoro- (8CI);1-Bromoheptadecafluorooctane;1-Bromoperfluorooctane;AF 0104;AFO 150;FO 6167;Foralkyl Br 8;Imagent;Imagent BP;Oxygent;Oxygent CA;Oxygent HT;PFOB;Perflubron;Perfluoroctylbromide;Perfluorooctyl bromide;n-Perfluorooctyl bromide;
PSA 0.00000
LogP 6.34820

Synthetic route

: 335-65-9
hydroperfluorooctane

: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
	58%
With carbon tetrabromide at 300℃; for 24h;	40%

: 507-63-1
1-iodoheptadecafluorooctane

: 558-13-4
carbon tetrabromide

: 7757-83-7
sodium sulfite

: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
In 1,2-dibromo-3-fluorobenzene; water

...Expand

: 507-63-1
1-iodoheptadecafluorooctane

: 3115-68-2
tetrabutyl phosphonium bromide

: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
In water

: 507-63-1
1-iodoheptadecafluorooctane

: 149-44-0
rongalite

A: 335-65-9
hydroperfluorooctane

B: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
With sodium hydroxide; sodium bromide In N-methyl-acetamide; water

...Expand

: 21652-55-1
perfluoro-n-octylsulfopentafluoride

: 307-35-7
perfluorooctyl sulfofluorure

: 7726-95-6
bromine

: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
490°C , lead on aluminiumoxide tube filled with nickel turnings;

...Expand

: 21652-55-1
perfluoro-n-octylsulfopentafluoride

: 7726-95-6
bromine

: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
at 500°C in aluminiumoxide-tube filled with nickel;

: 40630-63-5
octanesulfonyl fluoride

: 423-55-2
1-perfluorooctyl bromide

: 71053-03-7
butyltetramethylene sulfone

: 423-55-2
1-perfluorooctyl bromide

: 7795-95-1
octane-1-sulfonyl chloride

: 423-55-2
1-perfluorooctyl bromide

: 2690-08-6
di-n-octyl sulfide

: 423-55-2
1-perfluorooctyl bromide

: 507-63-1
1-iodoheptadecafluorooctane

: 423-55-2
1-perfluorooctyl bromide

Conditions

Conditions	Yield
With bromine at 140 - 142℃; Reflux; Large scale;

: 423-55-2
1-perfluorooctyl bromide

: 52112-19-3
n-C8H17TMS

Conditions

Conditions	Yield
With chloro-trimethyl-silane; magnesium In tetrahydrofuran	99.8%

: 423-55-2
1-perfluorooctyl bromide

: 93324-65-3
1-methylaminopyrene hydrochloride

Poly(acrylic acid), Mw = 1250000: Poly(acrylic acid), Mw = 1250000

Poly(acrylic acid)-pyrene/labeled 313 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 12.5; Mw 1831505, Mn/Mw 1.12: Poly(acrylic acid)-pyrene/labeled 313 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 12.5; Mw 1831505, Mn/Mw 1.12

Conditions

Conditions	Yield
Stage #1: 1-methylaminopyrene hydrochloride; Poly(acrylic acid), Mw = 1250000 With dicyclohexyl-carbodiimide In water; N,N-dimethyl-formamide at 60℃; for 2h; Polymerization; Stage #2: 1-perfluorooctyl bromide With sodium carbonate In water; N,N-dimethyl-formamide at 60℃; for 12h; Polymerization; Further stages.;	99%

...Expand

: 423-55-2
1-perfluorooctyl bromide

: 93324-65-3
1-methylaminopyrene hydrochloride

Poly(acrylic acid), Mw = 1250000: Poly(acrylic acid), Mw = 1250000

Poly(acrylic acid)-pyrene/labeled 469 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 30.5; Mw 1488321, Mn/Mw 1.05: Poly(acrylic acid)-pyrene/labeled 469 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 30.5; Mw 1488321, Mn/Mw 1.05

Conditions

Conditions	Yield
Stage #1: 1-methylaminopyrene hydrochloride; Poly(acrylic acid), Mw = 1250000 With dicyclohexyl-carbodiimide In water; N,N-dimethyl-formamide at 60℃; for 2h; Polymerization; Stage #2: 1-perfluorooctyl bromide With sodium carbonate In water; N,N-dimethyl-formamide at 60℃; for 12h; Polymerization; Further stages.;	98%

...Expand

: 423-55-2
1-perfluorooctyl bromide

: dodecyl 2-iodobenzoate

: dodecyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzoate

Conditions

Conditions	Yield
Stage #1: 1-perfluorooctyl bromide With diethylzinc In hexane at 20 - 77℃; for 3h; Inert atmosphere; Stage #2: dodecyl 2-iodobenzoate With copper(l) iodide In hexane at 90℃; for 13h; Inert atmosphere;	94%
With copper(l) iodide; diethylzinc at 90℃; for 16h; Sealed tube; Inert atmosphere; Schlenk technique;	94%

: 423-55-2
1-perfluorooctyl bromide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

A: 335-65-9
hydroperfluorooctane

B: 63967-40-8
perfluorononanal

C: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonanoic acid dimethylamide

Conditions

Conditions	Yield
With lead(II) bromide; aluminium for 4h; Ambient temperature;	A n/a B 90.2% C n/a

...Expand

: 111-66-0
oct-1-ene

: 423-55-2
1-perfluorooctyl bromide

: 6145-05-7
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorohexadecane

Conditions

Conditions	Yield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate In N,N-dimethyl-formamide for 12h; Reagent/catalyst; Irradiation;	90%
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 70℃; for 3h; Inert atmosphere;	63%

: 423-55-2
1-perfluorooctyl bromide

: 307-34-6
Perfluorooctane

Conditions

Conditions	Yield
With potassium fluoride; fluorine In sulfolane at 20 - 200℃; for 5.5h; Autoclave; Inert atmosphere;	88.5%
With BrF2(1+)*(x)F6Sb; hydrogen fluoride at -40 - 24℃; Inert atmosphere;	100 %Spectr.

: 423-55-2
1-perfluorooctyl bromide

: 93324-65-3
1-methylaminopyrene hydrochloride

Poly(acrylic acid), Mw = 1250000: Poly(acrylic acid), Mw = 1250000

Poly(acrylic acid)-pyrene/labeled 271 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 7.95; Mw 2164316, Mn/Mw 1.125: Poly(acrylic acid)-pyrene/labeled 271 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 7.95; Mw 2164316, Mn/Mw 1.125

Conditions

Conditions	Yield
Stage #1: 1-methylaminopyrene hydrochloride; Poly(acrylic acid), Mw = 1250000 With dicyclohexyl-carbodiimide In water; N,N-dimethyl-formamide at 60℃; for 2h; Polymerization; Stage #2: 1-perfluorooctyl bromide With sodium carbonate In water; N,N-dimethyl-formamide at 60℃; for 12h; Polymerization; Further stages.;	88%

...Expand

: 27845-47-2
N-benzylidene ethylamine

: 423-55-2
1-perfluorooctyl bromide

: 118825-48-2
N-Ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptedecafluoro-1-phenylnonylamine

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; methyllithium; lithium bromide In diethyl ether at -78℃; for 1h;	86%

: 423-55-2
1-perfluorooctyl bromide

A: 335-65-9
hydroperfluorooctane

B: 335-95-5
sodium perfluorooctanoate

Conditions

Conditions	Yield
With rongalite; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 85℃; for 20h;	A n/a B 86%

: 423-55-2
1-perfluorooctyl bromide

: 335-65-9
hydroperfluorooctane

Conditions

Conditions	Yield
With sodium methylate for 7h;	81%
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In tetrahydrofuran at 60℃; for 4h;	77.5%

: 292638-84-7
styrene

: 423-55-2
1-perfluorooctyl bromide

: 6145-09-1
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene

Conditions

Conditions	Yield
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 70℃; for 3h; Inert atmosphere;	81%

: 423-55-2
1-perfluorooctyl bromide

: 140-88-5
ethyl acrylate

A: 335-65-9
hydroperfluorooctane

B: 40599-19-7
Ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate

Conditions

Conditions	Yield
With [Co(HDm)2Py]Br; zinc In ethanol at 30℃; for 3h;	A n/a B 79%

...Expand

: 423-55-2
1-perfluorooctyl bromide

: 97-63-2
methyl methacrylate

A: 335-65-9
hydroperfluorooctane

B: 126331-02-0
Ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-methylundecanoate

Conditions

Conditions	Yield
With [Co(HDm)2Py]Br; zinc In ethanol at 30℃; for 3h;	A n/a B 78%

...Expand

: 423-55-2
1-perfluorooctyl bromide

: 68555-67-9
Sodium n-perfluorooctanesulfinate

Conditions

Conditions	Yield
With sodium disulfite In water; N,N-dimethyl-formamide at 80℃; for 6h;	78%

: 423-55-2
1-perfluorooctyl bromide

: 830-09-1
3-(4'-methoxyphenyl)propenoic acid

: 1423439-31-9
(E)-1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decen-1-yl)-4-methoxybenzene

Conditions

Conditions	Yield
With [2,2]bipyridinyl; copper(I) trifluoromethanesolfonate toluene complex; Dimethyl phosphite In acetonitrile at 80℃; for 72h; Schlenk technique; Inert atmosphere; Sealed tube; stereoselective reaction;	78%

: 3710-23-4
2-isopropenylnaphthalene

: 423-55-2
1-perfluorooctyl bromide

: 2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-1-en-2-yl)naphthalene

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,2-dichloro-ethane at 80℃; for 24h; Heck Reaction; Schlenk technique; Inert atmosphere;	75%

: 75-91-2
tert.-butylhydroperoxide

: 1746-23-2
4-tert-Butylstyrene

: 423-55-2
1-perfluorooctyl bromide

: 1-(tert-butyl)-4-(1-(tert-butylperoxy)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene

Conditions

Conditions	Yield
With triethylamine; cobalt acetylacetonate In 1,1,1-trichloroethane at 25℃; for 10h;	75%

...Expand

: 140-10-3
(E)-3-phenylacrylic acid

: 423-55-2
1-perfluorooctyl bromide

: 82497-73-2, 106873-72-7, 106873-83-0
(E)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decen-1-yl)benzene

Conditions

Conditions	Yield
With [2,2]bipyridinyl; copper(I) trifluoromethanesolfonate toluene complex; Dimethyl phosphite In acetonitrile at 80℃; for 72h; Schlenk technique; Inert atmosphere; Sealed tube; stereoselective reaction;	73%

: 423-55-2
1-perfluorooctyl bromide

: 536-74-3
phenylacetylene

: C16H6BrF17

Conditions

Conditions	Yield
With o-phenylenebis(diphenylphosphine); cobalt(II) bromide; zinc In water; acetone at 20℃; for 3h; Inert atmosphere; stereoselective reaction;	73%

: 1746-23-2
4-tert-Butylstyrene

: 423-55-2
1-perfluorooctyl bromide

: 121-44-8
triethylamine

: (Z)-1-(4-(tert-butyl)phenyl)-3-(diethylamino)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-en-1-one

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tert.-butylhydroperoxide; cobalt(II) acetylacetonate In 1,1,1-trichloroethane; water at 80℃; for 4h; diastereoselective reaction;	71%

...Expand

: 423-55-2
1-perfluorooctyl bromide

: 107-13-1
acrylonitrile

A: 335-65-9
hydroperfluorooctane

B: 26649-26-3
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanenitrile

Conditions

Conditions	Yield
With [Co(HDm)2Py]Br; zinc In ethanol at 30℃; for 4h;	A n/a B 70%

...Expand

: 592-41-6
1-hexene

: 423-55-2
1-perfluorooctyl bromide

: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane

Conditions

Conditions	Yield
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 70℃; for 3h; Inert atmosphere;	70%

: 423-55-2
1-perfluorooctyl bromide

: 78-94-4
methyl vinyl ketone

: 82486-22-4
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecan-2-one

Conditions

Conditions	Yield
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 70℃; for 3h; Inert atmosphere;	70%

: 423-55-2
1-perfluorooctyl bromide

: 93324-65-3
1-methylaminopyrene hydrochloride

Poly(acrylic acid), Mw = 1250000: Poly(acrylic acid), Mw = 1250000

Poly(acrylic acid)-pyrene/labeled 151 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 2.85; Mw 3800500, Mn/Mw 1.14: Poly(acrylic acid)-pyrene/labeled 151 carboxylate groups; 1-Bromo-perfluoro-octane, ratio of labeled carboxylate groups 2.85; Mw 3800500, Mn/Mw 1.14

Conditions

Conditions	Yield
Stage #1: 1-methylaminopyrene hydrochloride; Poly(acrylic acid), Mw = 1250000 With dicyclohexyl-carbodiimide In water; N,N-dimethyl-formamide at 60℃; for 2h; Polymerization; Stage #2: 1-perfluorooctyl bromide With sodium carbonate In water; N,N-dimethyl-formamide at 60℃; for 12h; Polymerization; Further stages.;	68%

...Expand

: 423-55-2
1-perfluorooctyl bromide

: 1428264-89-4
2-isocyano-5-methyl-1,1'-biphenyl

: 2-methyl-6-(perfluorooctyl)phenanthridine

Conditions

Conditions	Yield
With disodium hydrogenphosphate; fac-tris[2-phenylpyridinato-C2,N]iridium(III) In N,N-dimethyl-formamide at 26℃; for 48h; Inert atmosphere; Irradiation;	67%

: 423-55-2
1-perfluorooctyl bromide

: 174312-75-5
diethyl 2-allyl-2-(2-phenylethyl)malonate

: diethyl 2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2-(2-oxo-2-phenylethyl)malonate

Conditions

Conditions	Yield
With fac-tris(2-phenylpyridinato-N,C2')iridium(III); silver benzoate; dimethyl sulfoxide at 25℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;	66%

: 423-55-2
1-perfluorooctyl bromide

: 33453-95-1
lithium p-toluenethiolate

: 138451-19-1
Perfluoro-n-octyl p-tolyl sulfide

Conditions

Conditions	Yield
With lithium perchlorate; triethylamine In N,N-dimethyl-formamide at 20℃; electrolysis;	63%

: 423-55-2
1-perfluorooctyl bromide

: 98-83-9
isopropenylbenzene

: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-methyl-decyl)-benzene

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 60℃; for 8h;	60.4%

Perfluorooctyl bromide Specification

The Perfluorooctyl bromide, with the CAS registry number 423-55-2, is also known as 1-Bromoheptadecafluorooctane. It belongs to the product categories of Fluorous Chemistry; Fluorous Solvents; Synthetic Organic Chemistry. Its EINECS registry number is 207-028-4. This chemical's molecular formula is C₈BrF₁₇ and molecular weight is 498.96. Its IUPAC name is called 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane. This chemical's classification codes are Anti-obesity agents; Blood substitute; Central Nervous System Agents; Contrast media; Radiation-sensitizing agents. It is clear colorless liquid.

Physical properties of Perfluorooctyl bromide: (1)ACD/LogP: 8.62; (2) # of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 8.62; (4) ACD/LogD (pH 7.4): 8.62 ; (5)ACD/BCF (pH 5.5): 1000000; (6) ACD/BCF (pH 7.4): 1000000 ; (7)ACD/KOC (pH 5.5): 1168259.25; (8) ACD/KOC (pH 7.4): 1168259.25; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.296; (11) Molar Refractivity: 49.35 cm³; (12)Molar Volume: 266.7 cm³; (13)Surface Tension: 14.9 dyne/cm; (14) Density: 1.87 g/cm³; (15)Melting Point: 6 °C; (16)Flash Point: 40.9 °C; (17) Enthalpy of Vaporization: 36.53 kJ/mol ; (18)Boiling Point: 144 °C at 760 mmHg; (19) Vapour Pressure: 6.54 mmHg at 25°C.

Uses of Perfluorooctyl bromide: it can be used to produce 8H-heptadecafluoro-octane at temperature of 60 °C. This reaction will need reagent n-Bu₃SnH, AIBN and solvent tetrahydrofuran with reaction time of 4 hours. The yield is about 77.5%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
(3)InChIKey: WTWWXOGTJWMJHI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	14720mg/kg (14720mg/kg)		Microvascular Research. Vol. 8, Pg. 320, 1974.
mouse	LD50	unreported	42500mg/kg (42500mg/kg)		Biomaterials, Artificial Cells, and Artificial Organs. Vol. 16, Pg. 441, 1988.

Product Name

PERFLUOROOCTYL BROMIDE

Synthetic route

Perfluorooctyl bromide Specification

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