Heptadecylbenzene

Base Information

• Chemical Name: Heptadecylbenzene
• CAS No.: 14752-75-1
• Molecular Formula: C23H40
• Molecular Weight: 316.571
• Hs Code.: 2902909090
• European Community (EC) Number: 238-812-4
• UNII: OZ3N88U5RJ
• DSSTox Substance ID: DTXSID9065815
• Nikkaji Number: J141.240J
• Wikidata: Q27285929
• Mol file: 14752-75-1.mol

Synonyms:Heptadecylbenzene;1-Phenylheptadecane;14752-75-1;Benzene, heptadecyl-;n-Heptadecylbenzene;Heptadecane, 1-phenyl-;UNII-OZ3N88U5RJ;OZ3N88U5RJ;EINECS 238-812-4;Benzene,heptadecyl-;C23H40;DTXSID9065815;MFCD00039873;AKOS015840681;C23-H40;1-Phenylheptadecane, >=97.0% (GC);AS-57351;CS-0324324;FT-0637133;H0020;D90778;Q27285929

Chemical Property of Heptadecylbenzene

Chemical Property:

• Vapor Pressure: 3.76E-06mmHg at 25°C
• Melting Point: 32-38 °C
• Refractive Index: n20/D 1.480
• Boiling Point: 397 °C at 760 mmHg
• Flash Point: 180.2 °C
• PSA: 0.00000
• Density: 0.855 g/cm³
• LogP: 8.10050
• XLogP3: 11.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 16
• Exact Mass: 316.313001276
• Heavy Atom Count: 23
• Complexity: 214

Purity/Quality:

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

Heptadecylbenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC1=CC=CC=C1

Technology Process of Heptadecylbenzene

There total 18 articles about Heptadecylbenzene 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: 98.0%

chlorobenzene (108-90-7) → sodium p-chlorobenzenesulphinate (14752-66-0)

Guidance literature:

chlorobenzene; With aluminum (III) chloride; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In 1,2-dichloro-ethane; at 25 ℃; for 2h;

With sodium hydrogencarbonate; In water; 1,2-dichloro-ethane; at 25 ℃;

DOI:10.1016/j.tetlet.2018.01.081

Reference yield: 96.0%

4-chlorobenzenesulfonyl chloride (98-60-2) → sodium p-chlorobenzenesulphinate (14752-66-0)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In water; at 80 ℃; for 4h;

Reference yield: 91.0%

p-Chlorothiophenol (106-54-7) → sodium p-chlorobenzenesulphinate (14752-66-0)

Guidance literature:

p-Chlorothiophenol; With sodium acetate; acrylic acid methyl ester; In tetrahydrofuran; water; at 20 ℃;

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

With sodium hydroxide; In tetrahydrofuran; methanol; at 0 ℃; Inert atmosphere;

DOI:10.1039/d0cc01576h

upstream raw materials:

benzyllithium

benzaldehyde

hexadecyl magnesium iodide

1-iodohexadecane