4-Chloro-2-nitro-1-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 4-Chloro-2-nitro-1-(trifluoromethoxy)benzene
• CAS No.: 448-38-4
• Molecular Formula: C7H3ClF3NO3
• Molecular Weight: 241.554
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60431078
• Wikidata: Q82244876
• Mol file: 448-38-4.mol

Synonyms:4-chloro-2-nitro-1-(trifluoromethoxy)benzene;448-38-4;5-CHLORO-2-(TRIFLUOROMETHOXY)NITROBENZENE;MFCD13194449;SCHEMBL1274774;DTXSID60431078;HJUSPAGBVDNGSB-UHFFFAOYSA-N;RBSLNZJVBWTKEO-UHFFFAOYSA-N;AC1922;CS-W007178;3-Nitro-4-(trifluoromethoxy)chlorobenzene;AS-19290;SY020752;4-chloro-2-nitro-1-trifluoromethoxy-benzene;A872460

Chemical Property of 4-Chloro-2-nitro-1-(trifluoromethoxy)benzene

Chemical Property:

• PSA: 55.05000
• LogP: 3.67000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 240.9753551
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-2-nitro-1-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC(F)(F)F

Technology Process of 4-Chloro-2-nitro-1-(trifluoromethoxy)benzene

There total 3 articles about 4-Chloro-2-nitro-1-(trifluoromethoxy)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: 60.6%

→ 4-chloro-2-nitro-1-(trifluoromethoxy)benzene (448-38-4) + 4-(trifluoromethoxy)-2-nitro-1-chlorobenzene (588-09-0)

Guidance literature:

With magnesium(II) perchlorate; 2-nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide; In [D₃]acetonitrile; at 85 ℃; for 5h; Overall yield = 97 percent; Inert atmosphere; Sealed tube;

Reference yield:

1-chloro-4-(trifluoromethoxy)benzene (461-81-4) → 4-chloro-2-nitro-1-(trifluoromethoxy)benzene (448-38-4) + 4-(trifluoromethoxy)-2-nitro-1-chlorobenzene (588-09-0)

Guidance literature:

With sulfuric acid; nitric acid; at 50 ℃; for 3h;

Reference yield:

→ 4-chloro-2-nitro-1-(trifluoromethoxy)benzene (448-38-4)

Guidance literature:

Trifluormethyl-<4-chlor-phenyl>-aether, rauch. HNO3/konz. H2SO4/20-30grad/0.5 h ;

upstream raw materials:

1-chloro-4-(trifluoromethoxy)benzene

Downstream raw materials:

2-amino-4-chlorotrifluoro-methoxybenzene

4-chloro-2(-3)-nitrotrifluoro-methoxybenzene

Refernces

• 1、 -. "NITRATION". Page/Page column 36; 37; 47; 66-67; 38; 43; 50; 68. . Retrieved 2020/05/28.
• 2、 -. "DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES". Page/Page column 66. . Retrieved 2011/04/13.