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| CAS No.: | 335-64-8 |
|---|---|
| Name: | Pentadecafluorooctanoyl chloride |
| Article Data: | 26 |
| Molecular Structure: | |
|
|
|
| Formula: | C8ClF15O |
| Molecular Weight: | 432.516 |
| 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; |
| EINECS: | 206-394-2 |
| Density: | 1.722 g/cm3 |
| Melting Point: | 74-75 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 134.6 °C at 760 mmHg |
| Flash Point: | 35.2 °C |
| Solubility: | Reacts with water. |
| Appearance: | COLORLESS LIQUID |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 5.12590 |
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- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With chlorine Irradiation; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In tetrahydrofuran at 0℃; for 1h; | 100% |
- 335-64-8
pentadecafluorooctanoyl chloride
- 829-85-6
diphenylphosphane
- 548459-25-2
diphenyl-perfluoro-octanoylphosphine
| Conditions | Yield |
|---|---|
| With triethylamine | 100% |
| Conditions | Yield |
|---|---|
| With water | 99.6% |
- 335-64-8
pentadecafluorooctanoyl chloride
- 6306-52-1
L-valine methylester hydrochloride
- 170980-91-3
(S)-N-pentadecafluorooctanoylvalinemethylester
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With pyridine; dmap In dichloromethane at 20℃; for 3h; | 97% |
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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.
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Uses of Pentadecafluorooctanoyl chloride: it can be used to produce 1H,1H-pentadecafluoro-octan-1-ol. It will need reagent lithium alanate, diethyl ether.
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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