1-chloro-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene

Base Information

• Chemical Name: 1-chloro-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene
• CAS No.: 29887-33-0
• Molecular Formula: C₁₂H₅Cl₅
• Molecular Weight: 326.437
• NSC Number: 26110
• DSSTox Substance ID: DTXSID30282493
• Nikkaji Number: J1.425.110C
• Mol file: 29887-33-0.mol

Synonyms:Fulvene,1,2,3,4-tetrachloro-6-(p-chlorophenyl)- (6CI); Methane, (p-chlorophenyl)(2,3,4,5-tetrachloro-2,4-cyclopentadien-1-ylidene)-(8CI); 1,2,3,4-Tetrachloro-6-(p-chlorophenyl)pentafulvene; NSC 26110

Chemical Property of 1-chloro-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene

Chemical Property:

• Vapor Pressure: 0.000408mmHg at 25°C
• Boiling Point: 326.5°Cat760mmHg
• Flash Point: 144.9°C
• Density: 1.58g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

Technology Process of 1-chloro-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene

There total 3 articles about 1-chloro-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene 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:

hexachlorocyclopentadiene (77-47-4) → (4-chloro-phenyl)-tetrachlorocyclopentadienylidene-methane (29887-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: petroleum ether; zinc; aqueous hydrochloric acid

2: ethanol

With hydrogenchloride; ethanol; Petroleum ether; zinc;

DOI:10.1021/ja01606a027

Reference yield:

4-chlorobenzaldehyde (104-88-1) + 1,2,3,4-tetrachloro-cyclopenta-1,3-diene (695-77-2) → (4-chloro-phenyl)-tetrachlorocyclopentadienylidene-methane (29887-33-0)

Guidance literature:

With ethanol;

DOI:10.1021/ja01606a027

Reference yield:

→ (4-chloro-phenyl)-tetrachlorocyclopentadienylidene-methane (29887-33-0)

Guidance literature:

Tetrachlorid 3 u. p-Chlorbenzaldehyd;

DOI:10.1016/0040-4020(77)80133-6

upstream raw materials:

4-chlorobenzaldehyde

1,2,3,4-tetrachloro-cyclopenta-1,3-diene

hexachlorocyclopentadiene

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