1,4-Bis(trifluoromethyl)naphthalene

Base Information

• Chemical Name: 1,4-Bis(trifluoromethyl)naphthalene
• CAS No.: 52331-43-8
• Molecular Formula: C₁₂H₆F₆
• Molecular Weight: 264.17
• DSSTox Substance ID: DTXSID801292278
• Mol file: 52331-43-8.mol

Synonyms:1,4-bis(trifluoromethyl)naphthalene;52331-43-8;DTXSID801292278;MFCD12546938;AKOS005256339

Chemical Property of 1,4-Bis(trifluoromethyl)naphthalene

Chemical Property:

• PSA: 0.00000
• LogP: 4.87740
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 264.03736916
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

1,4-Bis(trifluoromethyl)naphthalene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2C(F)(F)F)C(F)(F)F

Technology Process of 1,4-Bis(trifluoromethyl)naphthalene

There total 2 articles about 1,4-Bis(trifluoromethyl)naphthalene 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:

naphthalene-1,4-dicarboxylic acid (605-70-9) → 1,4-Bis-(trifluormethyl)-naphthalin (52331-43-8)

Guidance literature:

Multistep reaction; (i) (heating), SF₄, (ii) aq. NaOH;

Reference yield:

→ 1,4-Bis-(trifluormethyl)-naphthalin (52331-43-8)

Guidance literature:

Naphtalin-1,4-dicarbonsaeure , SF4 / HF;

Reference yield:

1,4-Bis-(trifluormethyl)-naphthalin (52331-43-8) → 3,6-Bis-(trifluormethyl)-phthalsaeure (24866-16-8)

Guidance literature:

With pyridine; potassium permanganate;

upstream raw materials:

naphthalene-1,4-dicarboxylic acid

Downstream raw materials:

3,6-Bis-(trifluormethyl)-phthalsaeure

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