4-Methyl-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 4-Methyl-3-nitrobenzotrifluoride
• CAS No.: 65754-26-9
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.136
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID10363017
• Nikkaji Number: J753.722K
• Wikidata: Q72496443
• Mol file: 65754-26-9.mol

Synonyms:2-Nitro-4-(trifluoromethyl)toluene;

Chemical Property of 4-Methyl-3-nitrobenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.338mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 206.6 °C at 760 mmHg
• Flash Point: 78.8 °C
• PSA: 45.82000
• Density: 1.357 g/cm³
• LogP: 3.44520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 205.03506292
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99.3% ^*data from raw suppliers

1-Methyl-2-nitro-4-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Technology Process of 4-Methyl-3-nitrobenzotrifluoride

There total 3 articles about 4-Methyl-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:

sulfur tetrafluoride + 4-methyl-3-nitrobenzoic acid (96-98-0) → 2-methyl-5-trifluoromethylnitrobenzene (65754-26-9)

Guidance literature:

HF; In dichloromethane;

Reference yield:

C13H20N4O2 (1448038-13-8) + (trifluoromethyl)trimethylsilane (81290-20-2) → 2-methyl-5-trifluoromethylnitrobenzene (65754-26-9)

Guidance literature:

C₁₃H₂₀N₄O₂; With methyl iodide; at 110 ℃; Inert atmosphere;

(trifluoromethyl)trimethylsilane; With potassium fluoride; copper(l) iodide; In 1-methyl-pyrrolidin-2-one; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.201201040

Reference yield:

→ 2-methyl-5-trifluoromethylnitrobenzene (65754-26-9)

Guidance literature:

Benzoesaeure, SF4;

upstream raw materials:

4-methyl-3-nitrobenzoic acid

C₁₃H₂₀N₄O₂

(trifluoromethyl)trimethylsilane

Downstream raw materials:

(E)-3-Dimethylamino-1-(3-methyl-thiophen-2-yl)-2-(2-nitro-4-trifluoromethyl-phenyl)-propenone

2-amino-4-trifluoromethylbenzoic acid

methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate

6-trifluoromethyl-2-indolinone

Refernces

• 1、 -. "Trifluoromethyl substituted 1-aminoindanes". . . Retrieved 2008/06/13.