N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide

Base Information

• Chemical Name: N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
• CAS No.: 787-57-5
• Molecular Formula: C9H7F3N2O4
• Molecular Weight: 264.16
• Hs Code.: 2924297099
• European Community (EC) Number: 632-825-2
• DSSTox Substance ID: DTXSID40379686
• Wikidata: Q82169605
• Mol file: 787-57-5.mol

Synonyms:787-57-5;2-Nitro-4-(trifluoromethoxy)acetanilide;N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide;N-(2-Nitro-4-(trifluoromethoxy)phenyl)acetamide;2'-Nitro-4'-(trifluoromethoxy)acetanilide;Maybridge1_000145;MixCom1_000277;SCHEMBL3483129;DTXSID40379686;UCLBQTSVYJDQRU-UHFFFAOYSA-N;CCG-49867;MFCD00052324;AKOS015907724;PS-6694;CS-0319423;FT-0613158;A839486;Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]-;SR-01000639293-1

Chemical Property of N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide

Chemical Property:

• Vapor Pressure: 5.11E-06mmHg at 25°C
• Melting Point: 94-96 °C
• Refractive Index: 1.532
• Boiling Point: 381.3 °C at 760 mmHg
• Flash Point: 184.4 °C
• PSA: 84.15000
• Density: 1.511 g/cm³
• LogP: 3.04800
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 264.03579120
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

2'-Nitro-4'-(trifluoromethoxy)acetanilide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)OC(F)(F)F)[N+](=O)[O-]

Technology Process of N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide

There total 5 articles about N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide 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: 92.0%

N-(4-(trifluoromethoxy)phenyl)acetamide (1737-06-0) → 2-nitro-4-trifluoromethoxy-N-acetylaniline (787-57-5)

Guidance literature:

With sulfuric acid; nitric acid; In acetic acid; at 20 - 30 ℃; Large scale reaction;

DOI:10.1021/op8002882

Reference yield:

4-(trifluoromethoxy)aniline (461-82-5) + acetic anhydride (108-24-7) → 2-nitro-4-trifluoromethoxy-N-acetylaniline (787-57-5)

Guidance literature:

4-(trifluoromethoxy)aniline; acetic anhydride; In acetic acid; at 0 - 30 ℃; for 0.5h;

With sulfuric acid; nitric acid; In water; acetic acid; at 20 ℃; for 1h;

Reference yield:

4-(trifluoromethoxy)aniline (461-82-5) + acetic anhydride (108-24-7) + acetic acid (64-19-7,77671-22-8) → 2-nitro-4-trifluoromethoxy-N-acetylaniline (787-57-5)

Guidance literature:

4-(trifluoromethoxy)aniline; acetic anhydride; acetic acid; at 20 - 35 ℃; for 0.833333 - 1.16667h;

With sulfuric acid; nitric acid; In water; at 20 - 35 ℃; for 1.58333 - 2.08333h;

upstream raw materials:

N-(4-(trifluoromethoxy)phenyl)acetamide

4-(trifluoromethoxy)aniline

acetic anhydride

acetic acid

Downstream raw materials:

2-nitro-4-trifluoromethoxyaniline

1-Azido-2-nitro-4-trifluoromethoxy-benzene

4-(trifluoromethoxy)benzene-1,2-diamine

5-(trifluoromethoxy)-1,3-dihydro-2H-benzo[d]imidazol-2-one