Tetratetracontane

Base Information

• Chemical Name: Tetratetracontane
• CAS No.: 7098-22-8
• Molecular Formula: C44H90
• Molecular Weight: 619.199
• European Community (EC) Number: 230-407-0
• NSC Number: 102262
• UNII: FPX2NM4VIT
• DSSTox Substance ID: DTXSID5058640
• Nikkaji Number: J104.876G
• Wikidata: Q20890372
• Mol file: 7098-22-8.mol

Synonyms:n-tetratetracontane;tetratetracontane

Chemical Property of Tetratetracontane

Chemical Property:

• Vapor Pressure: 1.74E-11mmHg at 25°C
• Melting Point: 85-87 °C(lit.)
• Refractive Index: 1.457
• Boiling Point: 547.6 °C at 760 mmHg
• Flash Point: 448.2 °C
• PSA: 0.00000
• Density: 0.82 g/cm³
• LogP: 17.41040
• Storage Temp.: room temp
• Water Solubility.: Insoluble in water
• XLogP3: 23.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 41
• Exact Mass: 618.70425287
• Heavy Atom Count: 44
• Complexity: 411

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetratetracontane >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Uses: Tetratetracontane may be used in a passivation layer in copper-phthalocyanine field-effect transistors for improving the charge carrier mobility. It may be used to modify the quasi two-dimensional surface electron system on Au(111), which was investigated by angle-resolved photoemission spectroscopy.

Technology Process of Tetratetracontane

There total 6 articles about Tetratetracontane 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: 70.0%

C50H98S4 (448261-26-5) → tetratetracontane (7098-22-8)

Guidance literature:

With nickel; In cyclohexane; for 2h; Heating;

DOI:10.1271/bbb.66.523

Reference yield:

1,12-dibromododecane (3344-70-5) → tetratetracontane (7098-22-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 79 percent / buthyllithium / tetrahydrofuran; hexane / -45 - -10 °C

2: 33 percent / butyllithium / tetrahydrofuran; hexane / -15 - -10 °C

3: 16 percent / butyllithium / tetrahydrofuran; hexane / -15 - -10 °C

4: 70 percent / Raney nickel / cyclohexane / 2 h / Heating

With n-butyllithium; nickel; In tetrahydrofuran; hexane; cyclohexane;

DOI:10.1271/bbb.66.523

Reference yield:

C20H38S4 (448260-82-0) → tetratetracontane (7098-22-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 33 percent / butyllithium / tetrahydrofuran; hexane / -15 - -10 °C

2: 16 percent / butyllithium / tetrahydrofuran; hexane / -15 - -10 °C

3: 70 percent / Raney nickel / cyclohexane / 2 h / Heating

With n-butyllithium; nickel; In tetrahydrofuran; hexane; cyclohexane;

DOI:10.1271/bbb.66.523

upstream raw materials:

1-Bromodocosane

C₅₀H₉₈S₄

1,12-dibromododecane

C₂₀H₃₈S₄

Refernces