Pentachlorobenzoyl chloride

Base Information

• Chemical Name: Pentachlorobenzoyl chloride
• CAS No.: 1825-23-6
• Molecular Formula: C7Cl6O
• Molecular Weight: 312.794
• Hs Code.: 2916399090
• European Community (EC) Number: 660-659-0
• DSSTox Substance ID: DTXSID90365276
• Wikidata: Q82149804
• Mol file: 1825-23-6.mol

Synonyms:Pentachlorobenzoyl chloride;1825-23-6;2,3,4,5,6-pentachlorobenzoyl chloride;Pentachlorobenzoylchloride;2,3,4,5,6-PENTACHLORO-BENZOYL CHLORIDE;Benzoyl chloride, pentachloro-;Benzoyl chloride, 2,3,4,5,6-pentachloro-;Benzoyl chloride,2,3,4,5,6-pentachloro-;C7Cl6O;SCHEMBL1314080;DTXSID90365276;AAUSLOKBERXEER-UHFFFAOYSA-N;MFCD00093531;AKOS001030261;SB34591;FT-0735772;A812701;Z56759000

Chemical Property of Pentachlorobenzoyl chloride

Chemical Property:

• Appearance/Colour: white crystalline
• Melting Point: 83-85 °C
• Boiling Point: 335.4 °C at 760 mmHg
• PSA: 17.07000
• Density: 1.781 g/cm³
• LogP: 5.33260
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 311.805081
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,4,5,6-Pentachloro-benzoylchloride 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentachlorobenzoyl chloride

There total 10 articles about Pentachlorobenzoyl chloride 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%

2,3,4,5,6-pentachloro-1-(trifluoromethyl)benzene (384-83-8) + fluorosulphonic acid (7789-21-1) → pentachlorobenzoyl chloride (1825-23-6) + pentachlorobenzoyl fluoride (13656-40-1)

Guidance literature:

With chlorosulfonic acid; thionyl chloride;

Reference yield: 61.0%

perchlorobenzoic acid (1012-84-6) → pentachlorobenzoyl chloride (1825-23-6)

Guidance literature:

With thionyl chloride; for 48h; Heating;

DOI:10.1021/j100103a025

Reference yield: 44.0%

hexachlorotropone (21505-24-8) + 2,5-dihydro-2,2-dimethoxy-5,5-dimethyl-1,3,4-oxadiazole (138723-90-7) → hexachlorobenzene (118-74-1,67471-27-6) + Pentachlorbenzoesaeure-methylester (51877-62-4) + pentachlorobenzoyl chloride (1825-23-6) + methyl 2-pentachlorophenyl-2-oxo-ethanoate (38449-81-9)

Guidance literature:

In benzene; at 110 ℃; for 24h;

DOI:10.1021/jo9823846

upstream raw materials:

hexachloro-phthalide

perchlorodiphenylmethyl radical

perchlorobenzoic acid

hexachlorotropone

Downstream raw materials:

N-(pentachlorobenzoyl)-4,5-dibromo-3,6-methanohexahydrophthalimide

3,5-Dichlor-2,6-difluor-4-methoxy-anilin

3,5-Dichlor-2,6-difluor-4-methoxy-benzoesaeure

3,5-Dichlor-2,6-difluor-4-methoxy-benzoesaeure-methylester

Refernces

• 1、 -. "A method of removing chlorosulfonic acid in pentachlorobenzoyl chloride production". Paragraph 0028; 0029. . Retrieved 2017/06/08.
• 2、 Ruberu, Shiyamalie,Fox, Marye Anne. "Photochemical Behavior of Stable Free Radicals: The Photochemistry of Perchlorodiphenylmethyl Radical". . p. 143 - 149. Retrieved 2007/10/02.