1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
• CAS No.: 1996-69-6
• Molecular Formula: C14H10F3NO4
• Molecular Weight: 313.2287
• Hs Code.: 2909309090
• European Community (EC) Number: 671-929-2
• DSSTox Substance ID: DTXSID80379488
• Nikkaji Number: J1.021.852G
• Wikidata: Q82169325
• Mol file: 1996-69-6.mol

Synonyms:1996-69-6;1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene;4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride;Maybridge1_001501;HMS545M05;DTXSID80379488;Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-;BTB 05265;MFCD00052260;AKOS015911276;CS-0449381;FT-0616641;A814116;4-Methoxyphenyl[2-nitro-4-(trifluoromethyl)phenyl] ether

Chemical Property of 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene

Chemical Property:

• Melting Point: 45 °C
• Boiling Point: 349 °C at 760 mmHg
• Flash Point: 164.9 °C
• PSA: 64.28000
• Density: 1.365 g/cm³
• LogP: 4.93770
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 313.05619229
• Heavy Atom Count: 22
• Complexity: 377

Purity/Quality:

99%, ^*data from raw suppliers

4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene

There total 2 articles about 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)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: 56.0%

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) + 4-methoxy-phenol (150-76-5) → 1-(4-Methoxy-phenoxy)-2-nitro-4-trifluoromethyl-benzene (1996-69-6)

Guidance literature:

With potassium fluoride on basic alumina; 18-crown-6 ether; In acetonitrile; for 16h; Heating;

DOI:10.1021/jo980800g

Reference yield:

→ 1-(4-Methoxy-phenoxy)-2-nitro-4-trifluoromethyl-benzene (1996-69-6)

Guidance literature:

upstream raw materials:

1-fluoro-2-nitro-4-trifluoromethyl-benzene

4-methoxy-phenol

Refernces