Sulfide, 2,4-dinitrophenyl hexyl

Base Information

• Chemical Name: Sulfide, 2,4-dinitrophenyl hexyl
• CAS No.: 7343-59-1
• Molecular Formula: C₁₂H₁₆N₂O₄S
• Molecular Weight: 284.336
• NSC Number: 99880
• DSSTox Substance ID: DTXSID50295146
• Wikidata: Q82034900

Synonyms:Sulfide, 2,4-dinitrophenyl hexyl;7343-59-1;NSC99880;Sulfide,4-dinitrophenyl hexyl;SCHEMBL9665036;DTXSID50295146;NSC-99880

Chemical Property of Sulfide, 2,4-dinitrophenyl hexyl

Chemical Property:

• Vapor Pressure: 2.78E-06mmHg at 25°C
• Boiling Point: 401.2°Cat760mmHg
• Flash Point: 196.4°C
• Density: 1.25g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 284.08307817
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Sulfide, 2,4-dinitrophenyl hexyl

There total 7 articles about Sulfide, 2,4-dinitrophenyl hexyl 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:

Hexanethiol (111-31-9) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → (2,4-dinitro-phenyl)-hexyl sulfide (7343-59-1)

Guidance literature:

With pyridine; ethanol;

DOI:10.1016/0026-265X(59)90016-5

Reference yield:

1-bromo-hexane (111-25-1) + 2,4-dinitrothiophenol (2218-96-4) → (2,4-dinitro-phenyl)-hexyl sulfide (7343-59-1)

Guidance literature:

With potassium hydroxide; Diethylene glycol monobutyl ether;

DOI:10.1021/ja01149a019

Reference yield:

1-Chlorohexane (544-10-5) + 2,4-dinitrothiophenol (2218-96-4) → (2,4-dinitro-phenyl)-hexyl sulfide (7343-59-1)

Guidance literature:

With potassium hydroxide; Diethylene glycol monobutyl ether; potassium iodide;

DOI:10.1021/ja01149a019

upstream raw materials:

1-Chlorohexane

2,4-dinitrothiophenol

1-bromo-hexane

Hexanethiol

Downstream raw materials:

(2,4-dinitro-phenyl)-hexyl sulfone

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