2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-

Base Information

• Chemical Name: 2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-
• CAS No.: 2514-52-5
• Molecular Formula: C5Cl6 O
• Molecular Weight: 288.772
• NSC Number: 61284,54734,41893
• DSSTox Substance ID: DTXSID0073297
• Nikkaji Number: J657.495E
• Wikidata: Q82001671
• Mol file: 2514-52-5.mol

Synonyms:2514-52-5;Perchloro-2-cyclopentenone;2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-;Hexachloro-2-cyclopentenone;2,3,4,4,5,5-hexachlorocyclopent-2-en-1-one;2,3,4,4,5,5-Hexachloro-2-cyclopenten-1-one;Hexachloro-delta(sup 2)-cyclopentenone;AI3-27069;2-Cyclopenten-1-one, hexachloro- (6CI,7CI);2-Cyclopenten-1-one, 2,3,4,5,5-hexachloro-;2-Cyclopenten-1-one,3,4,4,5,5-hexachloro-;NSC54734;hexachlorocyclopentenone;C5Cl6O;NCIOpen2_002208;NCIOpen2_002851;C5-Cl6-O;Hexachloro-2-cyclopenten-1-one;DTXSID0073297;SCHEMBL11494558;2-Cyclopenten-1-one, hexachloro-;NSC41893;NSC61284;NSC 41893;NSC 54734;NSC 61284;NSC-41893;NSC-54734;NSC-61284;AKOS024332460;LS-58364

Chemical Property of 2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Boiling Point: 249.4°Cat760mmHg
• Flash Point: 102.2°C
• Density: 1.88g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 287.805081
• Heavy Atom Count: 12
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion. Moderately toxic by inhalation.
• Hazard Codes: A poison by ingestion. Moderately toxic by inhalation.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-

There total 4 articles about 2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro- 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: 9.5%

hexachlorocyclopentadiene (77-47-4) → perchloro-2-cyclopentene-1-one (2514-52-5) + Pentac (2227-17-0) + perchloro-3-cyclopentenone (15743-12-1) + C10Cl14O2 (79991-54-1)

Guidance literature:

With oxygen; silica gel; for 4h; Irradiation;

DOI:10.1021/jo00340a046

Reference yield: 9.5%

hexachlorocyclopentadiene (77-47-4) → perchloro-2-cyclopentene-1-one (2514-52-5) + Pentac (2227-17-0) + perchloro-3-cyclopentenone (15743-12-1) + C10Cl14O2 (79991-54-1) + C20Cl22O2 (79991-55-2)

Guidance literature:

With oxygen; silica gel; for 4h; Product distribution; Irradiation; var. perchlorinated olefins;

DOI:10.1021/jo00340a046

Reference yield:

hexachloro-cyclohex-3-ene-1,2-dione (19254-94-5) → carbon dioxide (124-38-9,18923-20-1) + hexachlorobenzene (118-74-1,67471-27-6) + perchloro-2-cyclopentene-1-one (2514-52-5)

Guidance literature:

at 300 ℃; im geschlossenen Rohr;

upstream raw materials:

1,1,2,3,4,5,5,5-octachloro-penta-1,3-diene

hexachlorocyclopentadiene

hexachloro-cyclohex-3-ene-1,2-dione

Downstream raw materials:

2,4,4,5,5-Pentachlor-1-(4-chlor-phenoxy)-cyclopenten-⁽¹⁾-on-⁽³⁾

methanethiosulfonic acid S-methyl ester

dimethylsulfide

2,4-dithiapentane

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