5-Nitro-2,3,4-trifluorobenzotrifluoride

Base Information

• Chemical Name: 5-Nitro-2,3,4-trifluorobenzotrifluoride
• CAS No.: 123973-37-5
• Molecular Formula: C₇HF₆NO₂
• Molecular Weight: 245.081
• DSSTox Substance ID: DTXSID90575752
• Wikidata: Q82465170
• Mol file: 123973-37-5.mol

Synonyms:5-Nitro-2,3,4-trifluorobenzotrifluoride;123973-37-5;2,3,4-trifluoro-1-nitro-5-(trifluoromethyl)benzene;SCHEMBL9748872;DTXSID90575752;2,3,4-trifluoro-5-nitro-benzotrifluoride

Chemical Property of 5-Nitro-2,3,4-trifluorobenzotrifluoride

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 244.99114725
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Nitro-2,3,4-trifluorobenzotrifluoride

There total 1 articles about 5-Nitro-2,3,4-trifluorobenzotrifluoride 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:

2,3,4-Trifluoro-trifluoromethylbenzene (393-01-1) → 2,3,4-trifluoro-5-nitro-benzotrifluoride (123973-37-5)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

2,3,4-trifluoro-5-nitro-benzotrifluoride (123973-37-5) → 3-amino-4,5,6-trifluoro-benzotrifluoride (123973-35-3)

Guidance literature:

With hydrogen; aluminum nickel; In tetrahydrofuran;

upstream raw materials:

2,3,4-Trifluoro-trifluoromethylbenzene

Downstream raw materials:

3-amino-4,5,6-trifluoro-benzotrifluoride

Refernces