2-(Difluoromethoxy)-5-nitroaniline

Base Information

• Chemical Name: 2-(Difluoromethoxy)-5-nitroaniline
• CAS No.: 54939-58-1
• Molecular Formula: C₇H₆F₂N₂O₃
• Molecular Weight: 204.133
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID60366235
• Wikidata: Q82151369
• Mol file: 54939-58-1.mol

Synonyms:2-(difluoromethoxy)-5-nitroaniline;54939-58-1;DTXSID60366235;MFCD00221472;AKOS001046177;FT-0608774;EN300-39869;Z56808943

Chemical Property of 2-(Difluoromethoxy)-5-nitroaniline

Chemical Property:

• Melting Point: 75-77°C
• Boiling Point: 342.9±37.0 °C(Predicted)
• PKA: 0.77±0.10(Predicted)
• PSA: 81.07000
• Density: 1.470±0.06 g/cm3(Predicted)
• LogP: 2.88280
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 204.03464838
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

2-(difluoromethoxy)-5-nitroaniline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Difluoromethoxy)-5-nitroaniline

There total 1 articles about 2-(Difluoromethoxy)-5-nitroaniline 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:

N-Acetyl-2-difluormethoxy-anilin (22236-05-1) → 2-Amino-4-nitrophenyldifluormethylether (54939-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HNO₃, H₂SO₄

2: KOH / aq. ethanol

With potassium hydroxide; sulfuric acid; nitric acid; In ethanol;

Reference yield:

2-Amino-4-nitrophenyldifluormethylether (54939-58-1) → 1-difluoromethoxy-4-nitrobenzene (1544-86-1)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) NaH₂PO₂, aq. HCl;

upstream raw materials:

N-Acetyl-2-difluormethoxy-anilin

Downstream raw materials:

1-difluoromethoxy-4-nitrobenzene