trans-Heptachlorostyrene

Base Information

• Chemical Name: trans-Heptachlorostyrene
• CAS No.: 29086-38-2
• Molecular Formula: C8H Cl7
• Molecular Weight: 345.2645
• UNII: C64GHY4RX9
• Nikkaji Number: J1.013.353J
• Mol file: 29086-38-2.mol

Synonyms:TRANS-HEPTACHLOROSTYRENE;29086-38-2;CCRIS 5681;1,2,3,4,5-pentachloro-6-[(E)-1,2-dichloroethenyl]benzene;Benzene, pentachloro((1E)-1,2-dichloroethenyl)-;Benzene, pentachloro[(1E)-1,2-dichloroethenyl]-;(E)-alpha,beta,2,3,4,5,6-HEPTACHLORO STYRENE;Heptachlorostyrene, trans-;C64GHY4RX9;LS-188556;(E)-alpha,beta,2,3,4,5,6-Heptachlorostyrene;(e)-alpha,beta-2,3,4,5,6-heptachlorostyrene;Benzene, pentachloro(1,2-dichloroethenyl)-, (E);1,2,3,4,5-Pentachloro-6-[(1E)-1,2-dichloroethenyl]benzene;Benzene, 1,2,3,4,5-pentachloro-6-[(1E)-1,2-dichloroethenyl]-

Chemical Property of trans-Heptachlorostyrene

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 412.9°C at 760 mmHg
• Flash Point: 212.3°C
• PSA: 0.00000
• Density: 1.728g/cm³
• LogP: 6.72960
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 343.786844
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C(=C(\C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)/Cl)\Cl

Technology Process of trans-Heptachlorostyrene

There total 7 articles about trans-Heptachlorostyrene 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: 30.0%

(pentachlorophenyl)acetylene (37123-28-7) → (E)-α,β,2,3,4,5,6-heptachlorostyrene (29086-38-2) + (Z)-α,β,2,3,4,5,6-heptachlorostyrene (29086-39-3)

Guidance literature:

With chlorine; In tetrachloromethane; for 2h;

DOI:10.1021/jo00359a007

Reference yield: 14.0%

perchlorophenylacetylene (52598-45-5) → (E)-α,β,2,3,4,5,6-heptachlorostyrene (29086-38-2) + (Z)-α,β,2,3,4,5,6-heptachlorostyrene (29086-39-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2h; Heating;

DOI:10.1021/jo00359a007

Reference yield:

octachlorostyrene (29082-74-4) → (E)-α,β,2,3,4,5,6-heptachlorostyrene (29086-38-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / Zn / dioxane / 16 h / Heating

2: 1.) AgNO₃, 2.) Cl₂ / 1.) H₂O, THF, 30 min, 2.) CCl₄, 5 min

3: 40 percent / AlCl₃ / CH₂Cl₂ / 2 h / Heating

With aluminium trichloride; chlorine; silver nitrate; zinc; In 1,4-dioxane; dichloromethane;

DOI:10.1021/jo00359a007

upstream raw materials:

perchlorophenylacetylene

(pentachlorophenyl)acetylene

2,3,4,5,6-pentachlorostyrene

1,2-dichloro-1-pentachlorophenylethane