5-Chloro-2,4-dinitrobenzotrifluoride

Base Information

• Chemical Name: 5-Chloro-2,4-dinitrobenzotrifluoride
• CAS No.: 21878-58-0
• Molecular Formula: C7H2ClF3N2O4
• Molecular Weight: 270.55000
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID70544300
• Wikidata: Q82421378
• Mol file: 21878-58-0.mol

Synonyms:5-Chloro-2,4-dinitrobenzotrifluoride;21878-58-0;1-Chloro-2,4-dinitro-5-(trifluoromethyl)benzene;Benzene, 1-chloro-2,4-dinitro-5-(trifluoromethyl)-;DTXSID70544300;QAVLVSIYNZSAEF-UHFFFAOYSA-N;MFCD11870775

Chemical Property of 5-Chloro-2,4-dinitrobenzotrifluoride

Chemical Property:

• PSA: 91.64000
• LogP: 4.22160
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 269.9655187
• Heavy Atom Count: 17
• Complexity: 327

Purity/Quality:

5-Chloro-2,4-dinitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloro-2,4-dinitrobenzotrifluoride

There total 1 articles about 5-Chloro-2,4-dinitrobenzotrifluoride 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:

3-chlorotrifluoromethylbenzene (98-15-7) → 2,4-dinitro-5-chlorobenzotrifluoride (21878-58-0)

Guidance literature:

With sulfuric acid; sulfur trioxide; nitric acid;

Reference yield: 75.0%

2,4-dinitro-5-chlorobenzotrifluoride (21878-58-0) + Methyl thioglycolate (2365-48-2) → S-(5-nitro-2-trifluoromethylphenyl)-1,4-dithioglycolic methyl ester

Guidance literature:

With triethylamine; In ethanol;

DOI:10.1016/S0022-1139(00)81068-4

Reference yield:

2,4-dinitro-5-chlorobenzotrifluoride (21878-58-0) → 1-Trifluormethyl-2,4-phenylendiisocyanat (1483-51-8)

Guidance literature:

Multi-step reaction with 4 steps

1: N₂H₄*H₂O

2: aq. CuSO₄

3: Fe, aq. HCl

4: dioxane

With hydrogenchloride; iron; hydrazine hydrate; copper(II) sulfate; In 1,4-dioxane;

upstream raw materials:

3-chlorotrifluoromethylbenzene

Downstream raw materials:

2,4-Dinitro-5-trifluormethylphenylhydrazin

2,4-dinitro-1-(trifluoromethyl)benzene

1,3-diamino-4-trifluoromethylbenzene

1-Trifluormethyl-2,4-phenylendiisocyanat