Pentachloroacetophenone

Base Information

• Chemical Name: Pentachloroacetophenone
• CAS No.: 25201-35-8
• Deprecated CAS: 114690-60-7
• Molecular Formula: C8H3 Cl5 O
• Molecular Weight: 292.376
• DSSTox Substance ID: DTXSID20921460
• Nikkaji Number: J90.782K
• Mol file: 25201-35-8.mol

Synonyms:pentachloroacetophenone

Chemical Property of Pentachloroacetophenone

Chemical Property:

• Vapor Pressure: 0.000565mmHg at 25°C
• Melting Point: 90°C
• Boiling Point: 342.8°Cat760mmHg
• Flash Point: 144.7°C
• PSA: 17.07000
• Density: 1.617g/cm³
• LogP: 5.15620
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 291.859703
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

PENTACHLORO ACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Technology Process of Pentachloroacetophenone

There total 4 articles about Pentachloroacetophenone 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:

1-(2,3,4,5,6-Pentachlorophenyl)ethanol (65426-69-9) → 2',3',4',5',6'-pentachloroacetophenone (25201-35-8)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/ja01192a020

Reference yield:

acetic acid-(1-pentachlorophenyl-ethyl ester) (65426-67-7) → 2',3',4',5',6'-pentachloroacetophenone (25201-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (basic hydrolysis)

2: K₂Cr₂O₇, aq. H₂SO₄

With potassium dichromate; sulfuric acid;

DOI:10.1021/ja01463a038

Reference yield:

hexachlorobenzene (118-74-1,67471-27-6) → 2',3',4',5',6'-pentachloroacetophenone (25201-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 0.33 h

1.2: 52 percent / tetrahydrofuran; hexane / -78 - 20 °C

2.1: Na₂Cr₂O₇; H₂SO₄ / diethyl ether; H₂O

With n-butyllithium; sodium dichromate; sulfuric acid; In tetrahydrofuran; diethyl ether; hexane; water;

DOI:10.1007/s11172-005-0341-1

upstream raw materials:

1-(2,3,4,5,6-Pentachlorophenyl)ethanol

acetic anhydride

hexachlorobenzene

acetic acid-(1-pentachlorophenyl-ethyl ester)

Downstream raw materials:

biphenyl-4-acetaldehyde

1-([1,1'-biphenyl]-2-yl)ethanone

pentachlorobenzene

acetic acid

Refernces