1-Fluorohexadecane

Base Information

• Chemical Name: 1-Fluorohexadecane
• CAS No.: 408-38-8
• Molecular Formula: C16H33 F
• Molecular Weight: 244.436
• Hs Code.: 2903499090
• European Community (EC) Number: 206-989-7
• DSSTox Substance ID: DTXSID10193790
• Nikkaji Number: J213.669D
• Wikidata: Q83066515
• Mol file: 408-38-8.mol

Synonyms:1-Fluorohexadecane;408-38-8;Hexadecyl fluoride;C16H33F;EINECS 206-989-7;1-fluoro-hexadecane;Hexadecane, 1-fluoro-;SCHEMBL9163221;DTXSID10193790;C16-H33-F;AKOS025310403

Chemical Property of 1-Fluorohexadecane

Chemical Property:

• Vapor Pressure: 0.00394mmHg at 25°C
• Melting Point: 18°C
• Refractive Index: 1.4382
• Boiling Point: 288.9°Cat760mmHg
• Flash Point: 225.6°C
• PSA: 0.00000
• Density: 0.819g/cm³
• LogP: 6.43720
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 244.256629215
• Heavy Atom Count: 17
• Complexity: 123

Purity/Quality:

98%min ^*data from raw suppliers

1-Fluorohexadecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCF

Technology Process of 1-Fluorohexadecane

There total 12 articles about 1-Fluorohexadecane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

1-Hexadecanol (36653-82-4,124-29-8) → 1-fluorohexadecane (408-38-8)

Guidance literature:

With N-tosyl-4-chlorobenzenesulfonimidoyl fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20 ℃; for 0.166667h; Sealed tube;

DOI:10.1002/chem.201901176

Reference yield: 74.0%

hexadecyltrimethoxysilane (16415-12-6) → 1-fluorohexadecane (408-38-8)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; iodosylbenzene; DMPU-HF; cesium fluoride; In 1,4-dioxane; at 25 ℃; for 12h; Glovebox;

DOI:10.1002/anie.201609741

Reference yield: 69.0%

S,S-diethyl-S-3-<(hexadecyloxy)sulfonyl>propylsulfonium fluoride (85577-56-6) → 1-fluorohexadecane (408-38-8)

Guidance literature:

In toluene; at 110 ℃; for 2h;

upstream raw materials:

1-Iodooctane

hexadecanyl bromide

tosylate de n-hexadecyle

(3-hexadecyloxysulfonyl-propyl)-trimethyl-ammonium; fluoride