Trichloroacetanilide

Base Information

• Chemical Name: Trichloroacetanilide
• CAS No.: 2563-97-5
• Molecular Formula: C8H6 Cl3 N O
• Molecular Weight: 238.501
• Hs Code.: 2924299090
• NSC Number: 483
• UNII: 24RT4XR5AX
• DSSTox Substance ID: DTXSID40180310
• Nikkaji Number: J54.167B
• Wikidata: Q83050854
• Mol file: 2563-97-5.mol

Synonyms:Trichloroacetanilide;2,2,2-Trichloro-N-phenylacetamide;N-Phenyltrichloroacetamide;2563-97-5;N-Trichloroacetanilide;2,2,2-Trichloroacetanilide;Acetamide, 2,2,2-trichloro-N-phenyl-;ACETANILIDE, 2,2,2-TRICHLORO-;.alpha.,.alpha.,.alpha.-Trichloroacetanilide;NSC 483;BRN 2804589;24RT4XR5AX;NSC-483;Acetamide, 2,2,2-trichloro-N-phenyl- (9CI);NSC483;2,2-Trichloroacetanilide;UNII-24RT4XR5AX;Acetanilide,2,2-trichloro-;WLN: GR XG XG XMV1;SCHEMBL1764510;SCHEMBL18095942;DTXSID40180310;Acetamide,2,2-trichloro-N-phenyl-;.alpha.,.alpha.-Trichloroacetanilide;2,2,2-Trichloro-N-phenylacetamide #;AKOS001586548;SR-01000078212;SR-01000078212-1

Chemical Property of Trichloroacetanilide

Chemical Property:

• Vapor Pressure: 0.000192mmHg at 25°C
• Melting Point: 96°C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 328.2°Cat760mmHg
• Flash Point: 152.3°C
• PSA: 29.10000
• Density: 1.521g/cm³
• LogP: 3.06830
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 236.951497
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

2,2,2-TRICHLOROACETANILIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C(Cl)(Cl)Cl

Technology Process of Trichloroacetanilide

There total 21 articles about Trichloroacetanilide 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: 94.0%

aniline (62-53-3) + trichloroacetic acid (76-03-9) → 2,2,2-trichloro-N-phenylacetamide (2563-97-5)

Guidance literature:

With covalent organic polymer from p-aminophenol and cyanuric chloride; In 1,4-dioxane; at 20 ℃; for 0.5h;

DOI:10.1039/c9dt03931g

Reference yield: 75.0%

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) + aniline (62-53-3) → 2,2,2-trichloro-N-phenylacetamide (2563-97-5)

Guidance literature:

In chloroform; for 3h; Heating;

Reference yield: 70.0%

aniline (62-53-3) → 2,2,2-trichloro-N-phenylacetamide (2563-97-5) + 4,6-dichloro-2-hydroxy-1,3,5-triazine (15791-08-9)

Guidance literature:

In acetone; for 6h; Ambient temperature;

upstream raw materials:

methanol

2,2,2-trichloro-N-phenylacetimidoyl chloride

1,1,1,3,3,3-hexachloro-propan-2-one

aniline

Downstream raw materials:

N-(2-nitrophenyl)-2,2,2,-trichloroacetamide

N-(4-nitrophenyl)-2,2,2,-trichloroacetamide

N-phenyl-N'-p-tolyl-oxalamide

N,N'-Diphenyloxamid