1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene
• CAS No.: 194874-02-7
• Molecular Formula: C₁₃H₈F₃NO₂
• Molecular Weight: 267.207
• DSSTox Substance ID: DTXSID90444116
• Nikkaji Number: J909.879H
• Wikidata: Q82262132
• Mol file: 194874-02-7.mol

Synonyms:1-(3-nitrophenyl)-3-(trifluoromethyl)benzene;194874-02-7;DTXSID90444116;MFCD21609587;3-Nitro-3'-(trifluoromethyl)biphenyl;AKOS025294825;BS-27603

Chemical Property of 1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene

Chemical Property:

• PSA: 45.82000
• LogP: 4.80380
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 267.05071298
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

95% ^*data from raw suppliers

1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene

There total 1 articles about 1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene 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: 93.0%

m-nitrobromobenzene (585-79-5) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → 3-nitro-3'-(trifluoromethyl)-1,1'-biphenyl (194874-02-7)

Guidance literature:

With palladium diacetate; tetrabutylammomium bromide; potassium carbonate; In water; at 70 ℃; for 0.5h;

DOI:10.1021/jo970439i

upstream raw materials:

m-nitrobromobenzene

(meta-(trifluoromethyl)phenyl)boronic acid