2,4-Dichloro-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 2,4-Dichloro-3-nitrobenzotrifluoride
• CAS No.: 203915-49-5
• Molecular Formula: C7H2Cl2F3NO2
• Molecular Weight: 260
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID20371643
• Wikidata: Q82159043
• Mol file: 203915-49-5.mol

Synonyms:2,4-Dichloro-3-nitrobenzotrifluoride;203915-49-5;1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene;SCHEMBL374327;DTXSID20371643;MFCD00153114;2,4-dichloro-3-nitro-benzotrifluorid;2,4-dichloro-3-nitro-benzotrifluoride;AKOS025294853;CS-0358027;FT-0676361;A814522;Benzene,1,3-dichloro-2-nitro-4-(trifluoromethyl)-

Chemical Property of 2,4-Dichloro-3-nitrobenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 267.5 °C at 760 mmHg
• Flash Point: 115.6 °C
• PSA: 45.82000
• Density: 1.638 g/cm³
• LogP: 4.44360
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 258.9414682
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

98%Min ^*data from raw suppliers

2,4-Dichloro-3-nitrobenzotrifluoride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])Cl
• Uses: 2,4-Dichloro-3-Nitrobenzotrifluoride is a useful reagent in the preparation of aryl ethers as HIF-2α inhibitors used in the treatment of cancers.

Technology Process of 2,4-Dichloro-3-nitrobenzotrifluoride

There total 1 articles about 2,4-Dichloro-3-nitrobenzotrifluoride 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:

2,4-dichloro-benzotrifluoride (320-60-5) → 1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene (203915-49-5)

Guidance literature:

With nitric acid; at 45 ℃; for 3h; Temperature; Reagent/catalyst;

Reference yield: 81.4%

1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene (203915-49-5) → 2,4-dichloro-3,5-dinitro-benzotrifluoride (29091-09-6)

Guidance literature:

With sulfuric acid; nitric acid; disulfuric acid; at 55 - 110 ℃; for 14.58h;

Reference yield: 17.0%

3-chloro-5-fluoro-phenol (202982-70-5) + 1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene (203915-49-5) → 2-chloro-4-(3-chloro-5-fluorophenoxy)-3-nitro-1-(trifluoromethyl)benzene

Guidance literature:

With caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 0 - 20 ℃; for 14h; Time; Concentration; Reagent/catalyst; Temperature;

upstream raw materials:

2,4-dichloro-benzotrifluoride

Downstream raw materials:

2,6-dichloro-3-trifluoromethyl aniline

2,4-dichloro-3,5-dinitro-benzotrifluoride

Refernces