Benzene, pentachloro(2-chloroethenyl)-, (E)-

Base Information

• Chemical Name: Benzene, pentachloro(2-chloroethenyl)-, (E)-
• CAS No.: 90301-92-1
• Molecular Formula: C₈H₂Cl₆
• Molecular Weight: 310.822
• DSSTox Substance ID: DTXSID70920463
• Mol file: 90301-92-1.mol

Synonyms:trans-Hexachlorostyrene;Benzene, pentachloro(2-chloroethenyl)-, (E)-;90301-92-1;1,2,3-trichloro-4-(1,2,2-trichloroethenyl)benzene;CCRIS 5680;(E)-beta,2,3,4,5,6-Hexachlorostyrene;DTXSID70920463;1,2,3-trichloro-4-(trichloroethenyl)benzene

Chemical Property of Benzene, pentachloro(2-chloroethenyl)-, (E)-

Chemical Property:

• Vapor Pressure: 8.21E-05mmHg at 25°C
• Melting Point: 115-116 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 351.7°Cat760mmHg
• Flash Point: 170.5°C
• PSA: 0.00000
• Density: 1.661g/cm³
• LogP: 5.98930
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 309.825816
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

(E)-BETA,2,3,4,5,6-HEXACHLOROSTYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(=C(Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of Benzene, pentachloro(2-chloroethenyl)-, (E)-

There total 5 articles about Benzene, pentachloro(2-chloroethenyl)-, (E)- 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:

→ (E)-β,2,3,4,5,6,-hexachlorostyrene (90301-92-1,90301-93-2)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1021/ja01131a057

Reference yield:

→ (E)-β,2,3,4,5,6,-hexachlorostyrene (90301-92-1,90301-93-2)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1021/ja01131a057

Reference yield:

1,2-dichloro-1-pentachlorophenylethane (90301-91-0) → (pentachlorophenyl)acetylene (37123-28-7) + (E)-β,2,3,4,5,6,-hexachlorostyrene (90301-92-1,90301-93-2) + (Z)-β,2,3,4,5,6,-hexachlorostyrene (90301-93-2)

Guidance literature:

With sodium isopropylate; In isopropyl alcohol; at 60 ℃; Yield given. Yields of byproduct given;

upstream raw materials:

1,2-dichloro-1-pentachlorophenylethane

2,3,4,5,6-pentachlorostyrene

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