2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene

Base Information

• Chemical Name: 2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene
• CAS No.: 40718-13-6
• Molecular Formula: C13H7ClF3NO3
• Molecular Weight: 317.652
• NSC Number: 55564
• DSSTox Substance ID: DTXSID60288387
• Nikkaji Number: J2.867.006K
• Wikidata: Q82024770
• Mol file: 40718-13-6.mol

Synonyms:40718-13-6;2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene;2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]benzene;Benzene, 2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]-;Benzene,2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]-;NSC55564;NCIOpen2_007493;DTXSID60288387;CS-M1568;NSC-55564;AKOS037650156;CS-14372

Chemical Property of 2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene

Chemical Property:

• Vapor Pressure: 0.000371mmHg at 25°C
• Boiling Point: 328.1°Cat760mmHg
• Flash Point: 152.2°C
• Density: 1.461g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 317.0066553
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

≥95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(F)(F)F

Technology Process of 2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene

There total 2 articles about 2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)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: 83.0%

3-chloro-4-fluoronitrobenzene (350-30-1) + 3-Trifluoromethylphenol (98-17-9) → 2-chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene (40718-13-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 85 ℃; for 5h;

DOI:10.1021/acs.jmedchem.0c01647

Reference yield:

→ 2-chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene (40718-13-6)

Guidance literature:

3,4-Dichlornitrobenzol, m-Trifluormethylphenol;

Reference yield: 82.0%

2-chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene (40718-13-6) → 3-chloro-4-[3-(trifluoromethyl)phenoxy]aniline (40718-14-7)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; at 110 ℃; for 6h;

DOI:10.1016/j.bmcl.2020.127408

upstream raw materials:

3-chloro-4-fluoronitrobenzene

3-Trifluoromethylphenol

Downstream raw materials:

C₂₄H₂₁ClF₃N₅O₃

N-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine hydrochloride

2-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol

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