1,4-Cyclohexadiene

Base Information

• Chemical Name: 1,4-Cyclohexadiene
• CAS No.: 628-41-1
• Deprecated CAS: 33004-08-9,56481-79-9,56481-79-9
• Molecular Formula: C6H8
• Molecular Weight: 80.1295
• Hs Code.: 29021990
• European Community (EC) Number: 211-043-1
• UNII: 0F8Z5909QZ
• DSSTox Substance ID: DTXSID0060854
• Nikkaji Number: J95.801H
• Wikipedia: Cyclohexa-1,4-diene
• Wikidata: Q161523
• Metabolomics Workbench ID: 55638
• Mol file: 628-41-1.mol

Synonyms:1,4-cyclohexadiene;cyclohexadiene

Chemical Property of 1,4-Cyclohexadiene

Chemical Property:

• Appearance/Colour: Clear, colorless liquid.
• Vapor Pressure: 77.4mmHg at 25°C
• Melting Point: -49.2 ºC
• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 81-82 ºC
• Flash Point: -6 ºC
• PSA: 0.00000
• Density: 0.847
• LogP: 1.89260
• Storage Temp.: 0-6°C
• Water Solubility.: Miscible with organic solvents like diethyl ether, tetrahydrofuran and toluene.Immiscible with water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 80.062600255
• Heavy Atom Count: 6
• Complexity: 58

Purity/Quality:

99% ^*data from raw suppliers

1,4-Cyclohexadiene (stabilized with BHT) >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-48/20/21/22-46-45
• Safety Statements: 53-45-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: C1C=CCC=C1
• Uses: Reagent for selectively cleaving benzyl esters in the presence of benzyl ethers by catalytic H-transfer. Forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.1 1,4-Cyclohexadiene is used to study the formation of parent ion from heavy fragmentation on irradiation with a high-intensity laser pulse. It is also used as a very effective hydrogen donor for catalytic hydrogenation reaction. It forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.

Technology Process of 1,4-Cyclohexadiene

There total 3 articles about 1,4-Cyclohexadiene 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:

1,3,5-hexatriene (2235-12-3) → cyclohexa-1,3-diene radical cation (592-57-4) + 1,4-cyclohexadiene radical cation (628-41-1) + trans-1,3,5-hexatriene radical cation (62015-34-3) + (Z)-1,3,5-hexatriene radical cation (62015-35-4)

Guidance literature:

In dichloromethane; at -253.2 ℃; Irradiation; electronic spectra of the produced radical mixture; the radicals were investigated;

DOI:10.1021/j150657a011

Reference yield:

cyclohexa-1,4-diene (1165952-92-0) → cyclohexa-1,3-diene radical cation (592-57-4) + 1,4-cyclohexadiene radical cation (628-41-1) + trans-1,3,5-hexatriene radical cation (62015-34-3) + (Z)-1,3,5-hexatriene radical cation (62015-35-4)

Guidance literature:

In dichloromethane; at -253.2 ℃; Irradiation; electronic spectra of the produced radical mixture; the radicals were investigated;

DOI:10.1021/j150657a011

Reference yield:

cyclohexa-1,3-diene (1165952-91-9) → cyclohexa-1,3-diene radical cation (592-57-4) + 1,4-cyclohexadiene radical cation (628-41-1) + trans-1,3,5-hexatriene radical cation (62015-34-3) + (Z)-1,3,5-hexatriene radical cation (62015-35-4)

Guidance literature:

In dichloromethane; at -253.2 ℃; Irradiation; electronic spectra of the produced radical mixture; the radicals were investigated;

DOI:10.1021/j150657a011

upstream raw materials:

1,3,5-hexatriene

cyclohexa-1,4-diene

cyclohexa-1,3-diene

Refernces