Hexane, 1-fluoro-6-iodo-

Base Information

• Chemical Name: Hexane, 1-fluoro-6-iodo-
• CAS No.: 373-30-8
• Molecular Formula: C6H12FI
• Molecular Weight: 230.0624
• DSSTox Substance ID: DTXSID80190751
• Nikkaji Number: J49.400C
• Wikidata: Q83063153
• Mol file: 373-30-8.mol

Synonyms:1-fluoro-6-iodohexane;373-30-8;HEXANE, 1-FLUORO-6-IODO-;6-Fluorohexyl iodide;BRN 1732407;4-01-00-00355 (Beilstein Handbook Reference);1-fluoro-6-iodo-hexane;C6H12FI;SCHEMBL3445935;DTXSID80190751;C6-H12-F-I;LS-75131

Chemical Property of Hexane, 1-fluoro-6-iodo-

Chemical Property:

• Vapor Pressure: 0.411mmHg at 25°C
• Boiling Point: 202.7°Cat760mmHg
• Flash Point: 79.5°C
• PSA: 0.00000
• Density: 1.515g/cm³
• LogP: 2.95130
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 229.99678
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCI)CCF

Technology Process of Hexane, 1-fluoro-6-iodo-

There total 4 articles about Hexane, 1-fluoro-6-iodo- 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:

6-iodohexyl 4-methylbenzenesulfonate → 1,6-difluorohexane (373-29-5) + 1-fluoro-6-iodohexane (373-30-8)

Guidance literature:

With tetrabutyl ammonium fluoride; at 80 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)00201-0

Reference yield:

1-chloro-6-fluorohexane (1550-09-0) → 1-fluoro-6-iodohexane (373-30-8)

Guidance literature:

With acetone; sodium iodide;

DOI:10.1111/j.1365-2621.2001.tb11339.x

Reference yield:

6-fluoro-hexan-1-ol (373-32-0) → 1-fluoro-6-iodohexane (373-30-8)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: acetone; sodium iodide

With thionyl chloride; acetone; sodium iodide;

DOI:10.1111/j.1365-2621.2001.tb11339.x

upstream raw materials:

1-chloro-6-fluorohexane

6-fluoro-hexan-1-ol

1,6-dichlorohexane