1,3,5-Cyclohexatriyne

Base Information

• Chemical Name: 1,3,5-Cyclohexatriyne
• CAS No.: 21894-87-1
• Molecular Formula: C6
• Molecular Weight: 72.066
• DSSTox Substance ID: DTXSID70491042
• Nikkaji Number: J2.454.661F
• Wikidata: Q866032
• Wikipedia: Benzotriyne
• Mol file: 21894-87-1.mol

Synonyms:Benzotriyne;1,3,5-Cyclohexatriyne;21894-87-1;1,3,5-tridehydrobenzene;DTXSID70491042;Q866032

Chemical Property of 1,3,5-Cyclohexatriyne

Chemical Property:

• Boiling Point: 93.4±23.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 0.01020
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 72
• Heavy Atom Count: 6
• Complexity: 15.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=1=C=C=C=C=C1

Technology Process of 1,3,5-Cyclohexatriyne

There total 3 articles about 1,3,5-Cyclohexatriyne 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:

pyrographite (7440-44-0) → carbon cluster (21894-87-1,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + (13)C2(12)C4

Guidance literature:

In neat (no solvent); Irradiation (UV/VIS); (12)C/(13)C rod vaporization by 532 nm pulser Nd:YAG laser, condensatin in solid Ar on Au plated surface cooled to ca. 10 K in vac. <1E-7 Torr;

DOI:10.1063/1.475316

Reference yield:

pyrographite (7440-44-0) → carbon cluster (21894-87-1,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + carbon (121565-74-0,8031-35-4,9078-70-0) + tricarbon (12075-35-3) + carbon + CCCCCC

Guidance literature:

In gaseous matrix; Irradiation (UV/VIS); sample ablation by Nd:YAG laser at 532 nm for 5-10 min, condensation in solid Ar on Au plate substrate at ca. 10 K;

DOI:10.1063/1.479062

Reference yield:

pyrographite (7440-44-0) → carbon cluster (21894-87-1,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + (13)C2(12)C4 + (13)C2(12)C4 + (13)C(12)C5 + (12)C6

Guidance literature:

In neat (no solvent); Irradiation (UV/VIS); (12)C/(13)C rod vaporization by 532 nm pulser Nd:YAG laser, condensatin in solid Ar on Au plated surface cooled to ca. 10 K in vac. <1E-7 Torr;

DOI:10.1063/1.475316

upstream raw materials:

pyrographite

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