Hexachlorocyclopentadiene

Base Information

• Chemical Name: Hexachlorocyclopentadiene
• CAS No.: 77-47-4
• Molecular Formula: C5Cl6
• Molecular Weight: 272.773
• European Community (EC) Number: 201-029-3
• ICSC Number: 1096
• NSC Number: 9235
• UN Number: 2646
• UNII: IP6ATU242I
• DSSTox Substance ID: DTXSID2020688
• Nikkaji Number: J1.949F
• Wikipedia: Hexachlorocyclopentadiene
• Wikidata: Q408998
• ChEMBL ID: CHEMBL1526721
• Mol file: 77-47-4.mol

Synonyms:hexachlorocyclopentadiene

Chemical Property of Hexachlorocyclopentadiene

Chemical Property:

• Appearance/Colour: clear to light yellow liquid
• Vapor Pressure: 0.0518mmHg at 25°C
• Melting Point: -10 C
• Refractive Index: 1.5640
• Boiling Point: 239 C
• Flash Point: 150 C
• Density: 1.702
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 271.810166
• Heavy Atom Count: 11
• Complexity: 234
• Transport DOT Label: Poison Inhalation Hazard

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: T+:Very toxic
• Statements: R22:; R24:; R26:; R34:; R50/53:
• Safety Statements: S23:; S39:; S45:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema. The substance may cause effects on the kidneys and liver. This may result in tissue lesions. The effects may be delayed. Medical observation is indicated.

Technology Process of Hexachlorocyclopentadiene

There total 33 articles about Hexachlorocyclopentadiene 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: 75.0%

2-bromo-3-iodo-bis(hexachlorocyclopentadiene)naphthalene (623924-91-4) → 2-bromo-3-iodonaphthalene (102153-44-6) + hexachlorocyclopentadiene (77-47-4)

Guidance literature:

at 210 ℃; for 2h; under 0.0112511 Torr; Pyrolysis;

Reference yield:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → 1,2,3,4,5-pentachlorocyclopentadiene (25329-35-5) + hexachlorocyclopentadiene (77-47-4)

Guidance literature:

With alkaline aqueous sodium hypochlorite solution; Petroleum ether;

DOI:10.1007/BF00900102

Reference yield:

1,2,3,4-Tetrachloronaphthalene-Bis(hexachlorocyclopentadiene) Adduct (80789-64-6) → 1,2,3,4-tetrachloronaphthalene (20020-02-4) + hexachlorocyclopentadiene (77-47-4)

Guidance literature:

With air; In solid; Heating;

DOI:10.1021/jo00028a044

upstream raw materials:

cis-1,2-Dichloroethylene

perchloropropene

tetrachloromethane

Trichloroethylene

Downstream raw materials:

endo,exo-1,8,9,10,11,11-hexachloro-3,6-epoxytricyclo<6.2.1.0^2,7>undec-9-ene-4,5-dicarboxylic anhydride

(+/-)-4.5.6.7.8.8-hexachloro-(3arH.7acH)-3a.4.7.7a-tetrahydro-4c.7c-methano-indene

(+/-)-1.2.3.4.5.6.7.8.10.10.11.11-dodecachloro-(4arH.4btH.8atH.9acH)-1.4.4a.4b.5.8.8a.9a-octahydro-1c.4c:5t.8t-dimethano-fluorene

1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene

Refernces

• 1、 Bodrikov, I. V.,Pryakhina, V. I.,Titov, D. Yu.,Titov, E. Yu.,Vorotyntsev, A. V.. "Synthesis of Decorated Carbon Structures with Encapsulated Components by Low-Voltage Electric Discharge Treatment". . p. 60 - 69. Retrieved 2022/03/17.
• 2、 -. "TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH". Page/Page column 49. . Retrieved 2008/06/13.