1-Fluorohexane

Base Information

• Chemical Name: 1-Fluorohexane
• CAS No.: 373-14-8
• Molecular Formula: C6H13 F
• Molecular Weight: 104.168
• Hs Code.: 2941109900
• European Community (EC) Number: 206-763-8
• DSSTox Substance ID: DTXSID4059910
• Nikkaji Number: J49.399F
• Wikidata: Q57998091
• Mol file: 373-14-8.mol

Synonyms:1-fluorohexane;n-hexyl fluoride

Chemical Property of 1-Fluorohexane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 60.6mmHg at 25°C
• Melting Point: -103°C
• Refractive Index: n20/D 1.3755(lit.)
• Boiling Point: 91.6 °C at 760 mmHg
• Flash Point: 27.2 °C
• PSA: 0.00000
• Density: 0.783 g/cm³
• LogP: 2.53620
• Storage Temp.: Flammables area
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 104.100128577
• Heavy Atom Count: 7
• Complexity: 27.4

Purity/Quality:

99% ^*data from raw suppliers

1-Fluorohexane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,F
• Statements: 10-23/24/25-36/37/38
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCF

Technology Process of 1-Fluorohexane

There total 15 articles about 1-Fluorohexane 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: 91.0%

C7H13FO2 → 1-fluorohexane (373-14-8) + di-hexyl carbonate (7523-15-1)

Guidance literature:

With HBGF; at 125 ℃; for 1h;

DOI:10.1016/S0040-4039(02)00738-4

Reference yield: 79.0%

hexan-1-ol (111-27-3) → 1-fluorohexane (373-14-8)

Guidance literature:

With C₆H₅CH₂EtCF₂CHFCl; In dichloromethane; at 0 ℃;

DOI:10.1016/S0022-1139(00)85254-9

Reference yield: 71.0%

n-hexyl methanesulfonate (16156-50-6) → 1-fluorohexane (373-14-8)

Guidance literature:

With α-molybdenum trioxide; water; cesium fluoride; In acetonitrile; at 100 ℃; for 1.5h; chemoselective reaction;

DOI:10.1016/j.tetlet.2016.11.099

upstream raw materials:

1-Chlorohexane

1-bromo-hexane

n-hexyl methanesulfonate

4-methylbenzenesulfonic acid n-hexylester

Downstream raw materials:

hexylbenzene

3-phenylhexane

2-phenylhexane

1-hexyl-4-methyl-benzene

Refernces

• 1、 Xia, Ji-Bao,Zhu, Chen,Chen, Chuo. "Visible light-promoted metal-free sp3-C-H fluorination". supporting information. p. 11701 - 11704. Retrieved 2015/05/20.
• 2、 Flosser, David A,Olofson, Roy A. "A useful conversion of alcohols to alkyl fluorides". . p. 4275 - 4279. Retrieved 2007/10/03.