Octachlorostyrene

Base Information

• Chemical Name: Octachlorostyrene
• CAS No.: 29082-74-4
• Molecular Formula: C8Cl8
• Molecular Weight: 379.712
• Hs Code.: 2903999090
• European Community (EC) Number: 684-175-4
• UNII: 304368U4VH
• DSSTox Substance ID: DTXSID2021074
• Nikkaji Number: J596.887I
• Wikidata: Q27155456
• Mol file: 29082-74-4.mol

Synonyms:octachlorostyrene

Chemical Property of Octachlorostyrene

Chemical Property:

• Vapor Pressure: 1.37E-06mmHg at 25°C
• Melting Point: 92.5-96.5 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 411.1°Cat760mmHg
• Flash Point: 207.6°C
• PSA: 0.00000
• Density: 1.799g/cm³
• LogP: 7.29610
• Storage Temp.: APPROX 4°C
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 379.744921
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

NLT 98% ^*data from raw suppliers

Perchlorostyrene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn,N
• Statements: 11-20/21/22-36-50/53
• Safety Statements: 16-26-36-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl
• Description: Octachlorostyrene(OCS) is a persistent, highly bioaccumulative, and toxic halogenated aromatic compound. It is not commercially manufactured, but is reportedly an inadvertent by-product of processes that combine carbon and chlorine under elevated temperatures. Magnesium production, chloride solvent production, aluminum plasma etching, aluminum degassing with hexachloroethane, chlorination of titanium, waste incineration, and chloro-alkali production with graphite anodes process are considered to be candidate occupations that produce OCS. However, recent advances have been made in process technology and pollution prevention practices in some of these industries, such as largely eliminating the electrolytic manufacture of chlorine and aluminum degassing with hexachloroethane, both of which have likely resulted in reductions in known sources of OCS.
• Uses: OCS is used in pesticide products to increase the effectiveness of the active ingredients, to make the product easier to apply, or to allow several active ingredients to mix in one solution. Perchlorostyrene is a component used in pesticide formulations.

Technology Process of Octachlorostyrene

There total 16 articles about Octachlorostyrene 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: 91.0%

octachloro-2,3-dihydrobenzothiophene 1,1-dioxide (73308-54-0) → octachlorostyrene (29082-74-4)

Guidance literature:

at 300 ℃; for 0.5h;

DOI:10.1021/jo01299a023

Reference yield: 81.0%

perchlorophenylacetylene (52598-45-5) → octachlorostyrene (29082-74-4)

Guidance literature:

With chlorine; In tetrachloromethane; for 0.5h; Irradiation;

DOI:10.1021/jo00359a007

Reference yield:

→ 2,3,4,5,6-pentachloropyridine (2176-62-7) + hexachloroethane (67-72-1) + hexachlorobenzene (118-74-1,67471-27-6) + octachlorostyrene (29082-74-4)

Guidance literature:

With aluminium trichloride; at 300 ℃; for 24h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1016/0045-6535(94)90370-0

upstream raw materials:

Perchlorbicyclo<4.2.0>octa-1.3.5-trien

7-Brom-1.2.3.5.6-pentachlor-4-dichlormethylenbicyclo<3.2.0>heptadien-4-ol

perchlorophenylacetylene

octachloro-2,3-dihydrobenzothiophene 1,1-dioxide

Downstream raw materials:

α,β,β,2,3,4,5-heptachlorostyrene

perchlorobenzoic acid

perchloro-1-phenylcyclobutene

3H-nonachloro-1-phenylcyclobutene

Refernces

• 1、 Deutscher,Cathro. "Organochlorine formation in magnesium electrowinning cells". . p. 147 - 155. Retrieved 2007/10/03.
• 2、 Bleise,Kleist,Guenther,Schwuger. "Formation of octachloroacenaphthylene in the pyrolysis of decachlorobiphenyl". . p. 655 - 666. Retrieved 2007/10/03.