1-Fluorooctane

Base Information

• Chemical Name: 1-Fluorooctane
• CAS No.: 463-11-6
• Molecular Formula: C8H17 F
• Molecular Weight: 132.221
• Hs Code.: 2903399090
• European Community (EC) Number: 207-333-2
• NSC Number: 62037
• UNII: 5JW9M3F8RW
• DSSTox Substance ID: DTXSID70196787
• Nikkaji Number: J64.736E
• Wikidata: Q83069800
• Mol file: 463-11-6.mol

Synonyms:1-FLUOROOCTANE;463-11-6;n-Octyl fluoride;Octyl fluoride;Octane, 1-fluoro-;1-Octyl fluoride;1-fluoro-octane;C8H17F;EINECS 207-333-2;NSC 62037;BRN 1697462;5JW9M3F8RW;NSC-62037;1-Fluorooctane 98%;1-Fluorooctane, 98%;UNII-5JW9M3F8RW;WLN: F8;SCHEMBL294511;DTXSID70196787;C8-H17-F;NSC62037;MFCD00013582;AKOS007930383;LS-13526;LS-97921;CS-0204338;FT-0607787;A827027

Chemical Property of 1-Fluorooctane

Chemical Property:

• Vapor Pressure: 7.09mmHg at 25°C
• Melting Point: -64°C
• Refractive Index: n20/D 1.396(lit.)
• Boiling Point: 142.2°Cat760mmHg
• Flash Point: 64.1°C
• PSA: 0.00000
• Density: 0.796g/cm³
• LogP: 3.31640
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 132.131428704
• Heavy Atom Count: 9
• Complexity: 43.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Fluorooctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCF
• Uses: 1-Fluorooctane has been used as a molecular probe in evaluations of gas chromatographic stationary phases consisting of bromo- and chloro-derivatives of a C78 branched alkane.

Technology Process of 1-Fluorooctane

There total 45 articles about 1-Fluorooctane 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: 100.0%

1-octyl p-toluenesulfonate (3386-35-4) → 1-Fluoro-octane (463-11-6)

Guidance literature:

With pyridine; tetrabutyl ammonium fluoride; In 1,4-dioxane; at 80 ℃; for 24h;

DOI:10.1016/S0040-4039(98)01564-0

Reference yield: 99.0%

1-bromo-octane (111-83-1) → 1-Fluoro-octane (463-11-6)

Guidance literature:

With [2,2]bipyridinyl; silver fluoride; at 130 ℃; for 0.75h;

DOI:10.1246/cl.1987.1675

Reference yield: 95.0%

n-octyl triflate (71091-89-9) → 1-Fluoro-octane (463-11-6)

Guidance literature:

With C₁₂H₃₅N₇P₂*FH; In tetramethylurea; 1,3,5-trimethyl-benzene; at 120 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1002/chem.201100458

upstream raw materials:

n-chlorooctane

1-Iodooctane

1-bromo-octane

1-octyl p-toluenesulfonate

Downstream raw materials:

n-chlorooctane

1-Iodooctane

1-bromo-octane

hydrogen fluoride

Refernces

• 1、 Escoula, B.,Rico, I.,Lattes, A.. "LE FORMAMIDE, UN SUBSTITUT DE L'EAU XI : EFFET DU FORMAMIDE SUR LES REACTIONS D'ECHANGE CHLORE-FLUOR DANS LES CONDITIONS DE TRANSFERT DE PHASE LIQUIDE-SOLIDE". . p. 1499 - 1500. Retrieved 1986.
• 2、 -. "Fluorination reagent and deoxygenation fluorination method". Paragraph 0066-0116; 0127-0138; 0159-0160. . Retrieved 2020/12/30.
• 3、 Zhang, Xuan,Li, Peng,Krzyaniak, Matthew,Knapp, Julia,Wasielewski, Michael R.,Farha, Omar K.. "Stabilization of Photocatalytically Active Uranyl Species in a Uranyl - Organic Framework for Heterogeneous Alkane Fluorination Driven by Visible Light". supporting information. . Retrieved 2020/07/03.