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Pentadecafluorooctanoyl chloride

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Name

Pentadecafluorooctanoyl chloride

EINECS 206-394-2
CAS No. 335-64-8 Density 1.722 g/cm3
PSA 17.07000 LogP 5.12590
Solubility Reacts with water. Melting Point 74-75 °C(Solv: benzene (71-43-2))
Formula C8ClF15O Boiling Point 134.6 °C at 760 mmHg
Molecular Weight 432.516 Flash Point 35.2 °C
Transport Information N/A Appearance COLORLESS LIQUID
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 335-64-8 (Pentadecafluorooctanoyl chloride) Hazard Symbols CorrosiveC
Synonyms

Octanoylchloride, pentadecafluoro- (7CI,8CI,9CI);2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid chloride;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoyl chloride;Pentadecafluorooctanoyl chloride;Perfluorocaprylic chloride;Perfluorooctanoicacid chloride;Perfluorooctanoic chloride;Perfluorooctanoyl chloride;n-Perfluorooctanoyl chloride;

Article Data 26

Pentadecafluorooctanoyl chloride Synthetic route

335-67-1

Perfluorooctanoic acid

335-64-8

pentadecafluorooctanoyl chloride

Conditions
ConditionsYield
With pyridine; thionyl chloride at 80℃; for 4h; Reflux;97%
With thionyl chloride; N,N-dimethyl-formamide for 4h; Heating;90%
With benzoyl chloride Heating;77%
376-27-2

methyl perfluorooctanoate

335-64-8

pentadecafluorooctanoyl chloride

Conditions
ConditionsYield
With chlorine Irradiation;
335-95-5

sodium perfluorooctanoate

335-64-8

pentadecafluorooctanoyl chloride

Conditions
ConditionsYield
With Phthaloyl dichloride
307-35-7

perfluorooctyl sulfofluorure

A

307-34-6

Perfluorooctane

B

307-33-5

1-Chloroperfluorooctane

C

335-64-8

pentadecafluorooctanoyl chloride

D

423-60-9

perfluorooctanesulphonyl chloride

Conditions
ConditionsYield
With aluminium trichloride at 100 - 110℃; for 5h; Title compound not separated from byproducts;
335-64-8

pentadecafluorooctanoyl chloride

17154-34-6

(trimethylsilyl)diphenylphosphine

548459-25-2

diphenyl-perfluoro-octanoylphosphine

Conditions
ConditionsYield
In tetrahydrofuran at 0℃; for 1h;100%
335-64-8

pentadecafluorooctanoyl chloride

829-85-6

diphenylphosphane

548459-25-2

diphenyl-perfluoro-octanoylphosphine

Conditions
ConditionsYield
With triethylamine100%
335-64-8

pentadecafluorooctanoyl chloride

335-67-1

Perfluorooctanoic acid

Conditions
ConditionsYield
With water99.6%
335-64-8

pentadecafluorooctanoyl chloride

6306-52-1

L-valine methylester hydrochloride

170980-91-3

(S)-N-pentadecafluorooctanoylvalinemethylester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 3.5h;99%
1121-30-8

1-hydroxy-2(1H)-pyridinethione

356-42-3

2,2,3,3,3-pentafluoropropanoic anhydride

335-64-8

pentadecafluorooctanoyl chloride

407-25-0

trifluoroacetic anhydride

336-59-4

heptafluorobutyric anhydride

A

57830-49-6

2-((trifluoromethyl)thio)pyridine

B

107146-03-2

2-pyridyl pentafluoroethyl sulfide

C

107146-04-3

2-(perfluoro-n-buthylthio)-pyridine

D

107146-05-4

2-(perfluoroheptylthio)-pyridine

Conditions
ConditionsYield
Product distribution; Irradiation; further reactions inpresence of perfluorobutyric anhydride with different alkenes;A 98%
B 94%
C 95%
D 60%
904684-59-9

N-Boc-N'-(pyren-1-ylmethyl)-3,6-dioxaoctane-1,8-diamine

335-64-8

pentadecafluorooctanoyl chloride

904684-62-4

N'-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl-N-Boc-N'-(pyren-1-ylmethyl)-3,6-dioxaoctane-1,8-diamide

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 20℃; for 3h;97%

Pentadecafluorooctanoyl chloride Specification

The Pentadecafluorooctanoyl chloride is an organic compound with the formula C8ClF15O. The systematic name of this chemical is pentadecafluorooctanoyl chloride. With the CAS registry number 335-64-8, it is also named as Octanoyl chloride, pentadecafluoro-. The product's categories are Rf-Tagged Building Blocks and Precursors; Fluorous Synthesis; Specialty Synthesis.

Physical properties about Pentadecafluorooctanoyl chloride are: (1)ACD/LogP: 8.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.49; (4)ACD/LogD (pH 7.4): 8.49; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 991361.44; (8)ACD/KOC (pH 7.4): 991361.44; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.294; (13)Molar Refractivity: 46.2 cm3; (14)Molar Volume: 251.1 cm3; (15)Polarizability: 18.31×10-24cm3; (16)Surface Tension: 15.9 dyne/cm; (17)Density: 1.722 g/cm3; (18)Flash Point: 35.2 °C; (19)Enthalpy of Vaporization: 37.21 kJ/mol; (20)Boiling Point: 134.6 °C at 760 mmHg; (21)Vapour Pressure: 8.01 mmHg at 25°C.

Preparation: this chemical can be prepared by pentadecafluorooctanoic acid. This reaction will need reagent phosphorus (V)-chloride.

Uses of Pentadecafluorooctanoyl chloride: it can be used to produce 1H,1H-pentadecafluoro-octan-1-ol. It will need reagent lithium alanate, diethyl ether.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(Cl)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
(3)InChIKey: AQQBRCXWZZAFOK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
(5)Std. InChIKey: AQQBRCXWZZAFOK-UHFFFAOYSA-N

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