Diheptyl disulfide

Base Information

• Chemical Name: Diheptyl disulfide
• CAS No.: 10496-16-9
• Molecular Formula: C14H30 S2
• Molecular Weight: 262.524
• Hs Code.: 2930909090
• European Community (EC) Number: 234-023-4
• NSC Number: 97275
• UNII: V2ULM5QWG5
• DSSTox Substance ID: DTXSID20146873
• Nikkaji Number: J97.190A
• Wikidata: Q83011777
• Mol file: 10496-16-9.mol

Synonyms:Diheptyl disulfide;di-n-Heptyl disulfide;10496-16-9;Heptyl disulfide;Diheptyl disulphide;Disulfide, diheptyl;1-(Heptyldisulfanyl)heptane;8,9-Dithiahexadecane;V2ULM5QWG5;EINECS 234-023-4;NSC-97275;Diheptyl persulfide;n-Heptyl disulfide;Disulphide, diheptyl;1,2-diheptyldisulfane;UNII-V2ULM5QWG5;SCHEMBL868134;1-(Heptyldisulfanyl)heptane #;DTXSID20146873;C14H30S2;NSC97275;MFCD00039981;NSC 97275;AKOS024390942;C14-H30-S2;FT-0636718;4,4'-(Propane-2,2-diyl)bis(2-(hydroxymethyl)phenol)

Chemical Property of Diheptyl disulfide

Chemical Property:

• Melting Point: -37.99°C
• Refractive Index: 1.4840
• Boiling Point: 338.1°Cat760mmHg
• Flash Point: 143.3°C
• PSA: 50.60000
• Density: 0.912g/cm³
• LogP: 6.30860
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 262.17889330
• Heavy Atom Count: 16
• Complexity: 101

Purity/Quality:

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

DI-N-HEPTYL DISULFIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCSSCCCCCCC

Technology Process of Diheptyl disulfide

There total 16 articles about Diheptyl disulfide 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: 99.0%

1,2,4,5-tetrachlorobenzene (95-94-3) + heptanethiol (1639-09-4) → diheptyldisulfide (10496-16-9) + 2,5-Bis(heptylthio)-1,4-dichlorobenzene (89165-36-6)

Guidance literature:

With potassium hydroxide; (Tricyclohexyl-n-dodecyl)phosphonium bromide; In toluene; at 25 ℃; for 2h;

DOI:10.1021/jo00181a044

Reference yield: 96.0%

1-Bromoheptane (629-04-9) → diheptyldisulfide (10496-16-9)

Guidance literature:

With potassium 5-methyl-1,3,4-oxadiazole-2-thiolate; In water; at 25 ℃; for 1h;

DOI:10.1080/17415993.2016.1253696

Reference yield: 96.0%

heptanethiol (1639-09-4) → diheptyldisulfide (10496-16-9)

Guidance literature:

With sulfuryl dichloride; for 0.5h; cooling;

DOI:10.1016/j.tetlet.2004.09.100

upstream raw materials:

1-Bromoheptane

2r-methyl-thiepane 1c-oxide

1,2,4,5-tetrachlorobenzene

heptanethiol

Downstream raw materials:

heptanethiol