2-Chloro-3,5-dinitrobenzotrifluoride

Base Information

• Chemical Name: 2-Chloro-3,5-dinitrobenzotrifluoride
• CAS No.: 392-95-0
• Molecular Formula: C7H2ClF3N2O4
• Molecular Weight: 270.552
• Hs Code.: 29049090
• European Community (EC) Number: 206-883-0
• DSSTox Substance ID: DTXSID9073177
• Nikkaji Number: J208.245D
• Wikidata: Q72449662
• Mol file: 392-95-0.mol

Synonyms:2-Chloro-3,5-dinitrobenzotrifluoride;392-95-0;2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene;Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-;C7H2ClF3N2O4;EINECS 206-883-0;MFCD00007076;SCHEMBL1943291;DTXSID9073177;2-Propynal, 3-(4-methoxyphenyl)-;2-chloro-3,5-dinitro-benzotrifluoride;AKOS015889826;AM61946;CS-W010098;LS-29478;PS-10428;2,4-dinitro-6-trifluoromethylchlorobenzene;FT-0611714;4-chloro-5-trifluoromethyl-1,3-dinitrobenzene;2-Chloro-1-(trifluoromethyl)-3,5-dinitrobenzene;2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene #;W-106446

Chemical Property of 2-Chloro-3,5-dinitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 28mmHg at 25°C
• Melting Point: 62-64 °C(lit.)
• Refractive Index: 1.377
• Boiling Point: 285 °C at 760 mmHg
• Flash Point: 126.2 °C
• PSA: 91.64000
• Density: 1.706 g/cm³
• LogP: 4.22160
• Water Solubility.: Insoluble in water. Soluble in Chloroform, Methanol.
• 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:

≥98% ^*data from raw suppliers

2-Chloro-3,5-dinitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 26-37/39-36-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-]
• Description: 2-Chloro-3, 5-dinitrobenzotrifluoride is a derivative of dinitrobenzotrifluoride. It is used as an important raw material and intermediate in organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs. It can also be used to increase mutagenic activity in the glutathione transferase mutant (C36). It can also be used in Ultrahigh-performance liquid chromatography tandem mass spectrometry (UPLC-MS) for determination of 20 free amino acids.
• Uses: A benzene derivative that increases mutagenic activity in the glutathione transferase mutant (C36). It is used to increase mutagenic activity in the glutathione transferase mutant (C36).

Technology Process of 2-Chloro-3,5-dinitrobenzotrifluoride

There total 4 articles about 2-Chloro-3,5-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:

1-chloro-2-(trifluoromethyl)benzene (88-16-4) → 1-chloro-2,4-dinitro-6-trifluoromethylbenzene (392-95-0)

Guidance literature:

With sulfuric acid; nitric acid; at 75 - 130 ℃;

Reference yield:

sodium 4-chloro-3-(trifluoromethyl)benzenesulfonate → 1-chloro-2,4-dinitro-6-trifluoromethylbenzene (392-95-0) + sodium 4-chloro-3-nitro-5-(trifluoromethyl)benzenesulfonate

Guidance literature:

With sulfuric acid; nitric acid; at 90 ℃; for 4h;

Reference yield:

sulfuric acid (7664-93-9) + 4-chloro-3-(trifluoromethyl)nitrobenzene (777-37-7) + nitric acid (7697-37-2,78989-43-2) → 1-chloro-2,4-dinitro-6-trifluoromethylbenzene (392-95-0)

Guidance literature:

upstream raw materials:

1-chloro-2-(trifluoromethyl)benzene

sulfuric acid

4-chloro-3-(trifluoromethyl)nitrobenzene

nitric acid

Downstream raw materials:

2,3-dichloro-2',4'-dinitro-6'-trifluoromethyldiphenylamine

2-trifluoromethyl-2',4,6-trinitrodiphenylamine

4-chloro-2,2',4'-trinitro-6'-trifluoromethyldiphenylamine

(3-Chloro-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine

Refernces