Hexanoyl fluoride,2,2,3,3,4,4,5,5,6,6,6-undecafluoro- supplier

Name
PERFLUOROHEXANOYL FLUORIDE 98
EINECS 206-582-4
CAS No. 355-38-4
Article Data14
CAS DataBase
Density 1.66 g/cm³
Solubility
Melting Point
Formula C₆F₁₂O
Boiling Point 77.5 °C at 760 mmHg
Molecular Weight 316.046
Flash Point 18 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms Hexanoylfluoride, undecafluoro- (6CI,7CI,8CI,9CI);Perfluorohexanoyl fluoride;
PSA 17.07000
LogP 3.58600

Synthetic route

: 210972-72-8
2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-hexanoic acid 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-1-trifluoromethyl-decyl ester

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
at 182 - 224℃;	73%

: 279-49-2
7-oxabicyclo(2.2.1)heptane

A: 678-26-2
perfluoropentane

B: 355-38-4
perfluorohexanoyl fluoride

C: 356-48-9
perfluoro(2-ethyltetrahydrofuran)

Conditions

Conditions	Yield
With fluorine at -120 - 20℃; for 336h; Yields of byproduct given;	A n/a B n/a C 26.2%
With fluorine at -120 - 20℃; for 336h; Yield given;	A n/a B n/a C 26.2%

...Expand

: 112-58-3
dihexyl ether

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
With hydrogen fluoride anodische Fluorierung;

: 142-62-1
hexanoic acid

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
With hydrogen fluoride anodische Fluorierung;

: 65500-50-7
perfluoro-2-octene

A: 354-34-7
trifluoroacetyl fluoride

B: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
With ozone; trifluoroacetic acid at -18 - 0℃; Yield given. Yields of byproduct given;

: 143813-73-4, 145733-85-3
Perfluoro-cis-2-n-hexyl-3-n-pentyloxaziridine

A: 355-38-4
perfluorohexanoyl fluoride

B: C6F13N

Conditions

Conditions	Yield
With cesium fluoride at 100 - 110℃; for 12h; Yield given. Yields of byproduct given;

: perfluoro-1-pentoxy-2-azaoct-1-ene

A: 355-38-4
perfluorohexanoyl fluoride

B: C6F13N

Conditions

Conditions	Yield
With cesium fluoride at 100℃; for 12h; Yield given. Yields of byproduct given;

: 31143-13-2
(E)-perfluorooct-2-ene

: 76-05-1
trifluoroacetic acid

A: 355-38-4
perfluorohexanoyl fluoride

B: 359-48-8
trifluoroacetyl peroxide

Conditions

Conditions	Yield
With oxygen; ozone at 0℃; Rate constant; var. reaction conditions; also in the presence of SbF5 and HClO4;

...Expand

: 108-93-0
cyclohexanol

A: 678-26-2
perfluoropentane

B: 355-38-4
perfluorohexanoyl fluoride

C: 355-68-0
perfluorocyclohexane

Conditions

Conditions	Yield
With fluorine -120 deg C to r.t.; Yields of byproduct given;	A 1.2 g B n/a C n/a
With fluorine -120 deg C to r.t.; Yield given;	A 1.2 g B n/a C n/a

...Expand

: trans-3,5-difluoro-5-perfluoropentyl-3-trifluoromethyl-1,2,4-trioxolane

: cis-3,5-difluoro-5-perfluoropentyl-3-trifluoromethyl-1,2,4-trioxolane

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
Ring cleavage; Heating;

: 65500-50-7
perfluoro-2-octene

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: O3; O2 / 1,1,2-trichloro-1,2,2-trifluoro-ethane / 2 h / 15 - 20 °C 2: Heating View Scheme

: 143813-73-4, 145733-85-3
Perfluoro-cis-2-n-hexyl-3-n-pentyloxaziridine

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 150 - 170 °C 2: CsF / 12 h / 100 °C View Scheme

: 355-43-1
n-perfluorohexyl iodide

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
With phosphorus pentachloride; sulfuric acid at 20 - 70℃; for 17.5h;	58.7 %Chromat.

: mercury(II) fluoride

: perfluorohexanoyl cyanide dimer

: 355-38-4
perfluorohexanoyl fluoride

: perfluorohexanoyl cyanide dimer

: silver fluoride

: 355-38-4
perfluorohexanoyl fluoride

: 372-80-5
hexanoyl fluoride

: 355-38-4
perfluorohexanoyl fluoride

Conditions

Conditions	Yield
Electrochemical reaction;

: 355-38-4
perfluorohexanoyl fluoride

: 2567-29-5
p-phenylbenzyl bromide

: C19H11F13O

Conditions

Conditions	Yield
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 40℃; for 12h; Temperature; Reagent/catalyst; Inert atmosphere;	78%

: 355-38-4
perfluorohexanoyl fluoride

: 106-95-6
allyl bromide

: C9H5F13O

Conditions

Conditions	Yield
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 40℃; for 12h; Inert atmosphere;	75%

: 355-38-4
perfluorohexanoyl fluoride

: 75-03-6
ethyl iodide

: C8H5F13O

Conditions

Conditions	Yield
With potassium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 40℃; for 12h; Inert atmosphere;	30%

: 67-56-1
methanol

: 355-38-4
perfluorohexanoyl fluoride

: 424-18-0
perfluorohexanoic acid methyl ester

: 355-38-4
perfluorohexanoyl fluoride

: 335-54-6
undecafluoro-hexanoic acid amide

Conditions

Conditions	Yield
With ammonia

: 428-59-1
Hexafluoropropene oxide

: 355-38-4
perfluorohexanoyl fluoride

: 13140-31-3
F(CF2)6OCF(CF3)COF

Conditions

Conditions	Yield
With Tetraethylene glycol dimethyl ether; cesium fluoride at 0 - 20℃; under 0 Torr;	79.6 %Chromat.

Hexanoyl fluoride,2,2,3,3,4,4,5,5,6,6,6-undecafluoro- Specification

This chemical is called Hexanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, and its CAS registry number is 355-38-4. With the molecular formula of C₆F₁₂O, its molecular weight is 316.04.

Other characteristics of the Hexanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro- can be summarised as followings: (1)ACD/LogP: 6.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.45; (4)ACD/LogD (pH 7.4): 6.45; (5)ACD/BCF (pH 5.5): 47020.47; (6)ACD/BCF (pH 7.4): 47020.47; (7)ACD/KOC (pH 5.5): 76914; (8)ACD/KOC (pH 7.4): 76914; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.264; (14)Molar Refractivity: 31.66 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 12.55×10^-24cm³; (17)Surface Tension: 13.6 dyne/cm; (18)Density: 1.66 g/cm³; (19)Flash Point: 18 °C; (20)Enthalpy of Vaporization: 31.85 kJ/mol; (21)Boiling Point: 77.5 °C at 760 mmHg; (22)Vapour Pressure: 96.4 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)C(F)=O)C(F)(F)C(F)(F)C(F)(F)F
2.InChI: InChI=1/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18
3.InChIKey: XATLHBQMSOZWBO-UHFFFAOYAK

Product Name

PERFLUOROHEXANOYL FLUORIDE 98

Synthetic route

Hexanoyl fluoride,2,2,3,3,4,4,5,5,6,6,6-undecafluoro- Specification

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