1,3-Diethyl-2-fluorobenzene

Base Information

• Chemical Name: 1,3-Diethyl-2-fluorobenzene
• CAS No.: 84604-67-1
• Molecular Formula: C₁₀H₁₃F
• Molecular Weight: 152.212
• European Community (EC) Number: 283-349-3
• DSSTox Substance ID: DTXSID50233588
• Nikkaji Number: J333.515A
• Wikidata: Q83115169
• Mol file: 84604-67-1.mol

Synonyms:1,3-Diethyl-2-fluorobenzene;84604-67-1;EINECS 283-349-3;SCHEMBL22306130;DTXSID50233588;C10-H13-F;AKOS024334013;FT-0703602

Chemical Property of 1,3-Diethyl-2-fluorobenzene

Chemical Property:

• Vapor Pressure: 1.23mmHg at 25°C
• Boiling Point: 180.3°C at 760 mmHg
• Flash Point: 54.5°C
• PSA: 0.00000
• Density: 0.955g/cm³
• LogP: 2.95050
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 152.100128577
• Heavy Atom Count: 11
• Complexity: 99.4

Purity/Quality:

99% ^*data from raw suppliers

1,3-DIETHYL-2-FLUOROBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)F

Technology Process of 1,3-Diethyl-2-fluorobenzene

There total 3 articles about 1,3-Diethyl-2-fluorobenzene 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: 17.0%

2,6-diethylbenzenediazonium tetrafluoroborate → 1,3-diethyl-2-fluorobenzene (84604-67-1) + 3,5-Diethyl-4-fluoro-benzenesulfonyl fluoride + 2,4-Diethyl-3-fluoro-benzenesulfonyl fluoride + Fluorosulfuric acid 2,6-diethyl-phenyl ester

Guidance literature:

With antimony pentafluoride; fluorosulphonic acid; at 0 ℃; Yields of byproduct given;

DOI:10.1002/hlca.19830660612

Reference yield: 8.0%

2,6-diethylbenzenediazonium tetrafluoroborate → 2,6-diethylphenol (1006-59-3) + 1,3-diethyl-2-fluorobenzene (84604-67-1) + C12H13(2)H3FN + C12H13(2)H3FN

Guidance literature:

In [D₃]acetonitrile; Yields of byproduct given;

DOI:10.1002/hlca.19830660612

Reference yield:

[D3]acetonitrile (2206-26-0) + 2,6-diethylbenzenediazonium tetrafluoroborate → 2,6-diethylphenol (1006-59-3) + 1,3-diethyl-2-fluorobenzene (84604-67-1) + C12H13(2)H3FN + C12H13(2)H3FN

Guidance literature:

Yield given. Yields of byproduct given;

DOI:10.1002/hlca.19830660612

upstream raw materials:

[D₃]acetonitrile

Refernces