1-Chlorocyclohexa-1,4-diene

Base Information

• Chemical Name: 1-Chlorocyclohexa-1,4-diene
• CAS No.: 95309-13-0
• Molecular Formula: C6H7Cl
• Molecular Weight: 114.575
• DSSTox Substance ID: DTXSID50538888
• Wikidata: Q82414459
• Mol file: 95309-13-0.mol

Synonyms:1-Chlorocyclohexa-1,4-diene;95309-13-0;SCHEMBL3229219;DTXSID50538888

Chemical Property of 1-Chlorocyclohexa-1,4-diene

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 114.0236279
• Heavy Atom Count: 7
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC(=C1)Cl

Technology Process of 1-Chlorocyclohexa-1,4-diene

There total 2 articles about 1-Chlorocyclohexa-1,4-diene 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:

tetrachloromethane (56-23-5) + di-tert-butyl peroxide (110-05-4) + cyclohexa-1,4-diene (1165952-92-0) → chloroform (67-66-3,8013-54-5) + hexachloroethane (67-72-1) + 1-Chlor-cyclohexa-1,4-dien (95309-13-0) + tert-butyl alcohol (75-65-0)

Guidance literature:

Product distribution; Irradiation;

DOI:10.1021/ja00302a020

Reference yield:

→ 1-Chlor-cyclohexa-1,4-dien (95309-13-0)

Guidance literature:

Saeure 3, Blei-tetraacetat;

DOI:10.1021/ja00848a066

Reference yield: 88.0%

1-Chlor-cyclohexa-1,4-dien (95309-13-0) → 4,5-dibromo-1-chlorocyclohex-1-ene (95309-14-1)

Guidance literature:

With bromine; In dichloromethane; at 0 ℃;

DOI:10.1039/P19840002659

upstream raw materials:

tetrachloromethane

di-tert-butyl peroxide

cyclohexa-1,4-diene

Downstream raw materials:

4,5-dibromo-1-chlorocyclohex-1-ene

2-monochlorophenol