Tetraheptylammonium iodide

Base Information

• Chemical Name: Tetraheptylammonium iodide
• CAS No.: 3535-83-9
• Molecular Formula: C28H60 N . I
• Molecular Weight: 537.696
• Hs Code.: 29239000
• European Community (EC) Number: 222-570-1
• NSC Number: 56441
• DSSTox Substance ID: DTXSID20883918
• Mol file: 3535-83-9.mol

Synonyms:Tetraheptylammonium iodide;3535-83-9;Tetra-n-heptylammonium iodide;1-Heptanaminium, N,N,N-triheptyl-, iodide;tetraheptylazanium;iodide;TETRAHEPTYLAMMONIUMIODIDE;Ammonium, tetraheptyl-, iodide;1-Heptanaminium, N,N,N-triheptyl-, iodide (1:1);EINECS 222-570-1;NSC 56441;tetraheptylazanium,iodide;C28H60N.I;SCHEMBL268388;DTXSID20883918;C28-H60-N.I;NSC56441;MFCD00041984;NSC-56441;AKOS015833286;HY-W127661;1-Heptanaminium,N,N-triheptyl-, iodide;CS-0185860;FT-0711194;T1396;Tetraheptylammonium iodide, >=99.0% (AT);E78951

Chemical Property of Tetraheptylammonium iodide

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 122-126 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 6.68880
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 24
• Exact Mass: 537.37705
• Heavy Atom Count: 30
• Complexity: 237

Purity/Quality:

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

Tetraheptylammonium Iodide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-]
• Uses: Tetraheptylammonium iodide (CAS# 3535-83-9) is a compound used in electrolyte solutions for dye-sensitized solar cells.

Technology Process of Tetraheptylammonium iodide

There total 1 articles about Tetraheptylammonium iodide 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-Iodoheptane (4282-40-0) + 1-Heptylamine (111-68-2) → tetra-n-heptylammonium iodide (3535-83-9)

Guidance literature:

In ethanol;

DOI:10.1021/jo01075a616

Reference yield: 39.9%

(C10H6P(C6H5)2)2PdC6H5Br (275801-25-7,1005420-28-9) + tetra-n-heptylammonium iodide (3535-83-9) → [Pd(BINAP)(I)(Ph)] (399566-48-4,403740-00-1)

Guidance literature:

With AgOSO₂CF₃; CH₃(CH₂)7NH₂; In toluene; (inert atm.); addn. of amine to a suspn. of palladium complex in toluene, addn. of silver salt, stirring at room temp. for 5 min, decantation, filtration through Celite, addn. to a suspn. of ammonium salt in toluene; concn., layering with pentane, keeping at -34°C; elem. anal.;

DOI:10.1021/om0108088

Reference yield:

sodium picrate (3324-58-1) + tetra-n-heptylammonium iodide (3535-83-9) → Picratetetraheptyl-ammonium;

Guidance literature:

In water; acetone;

DOI:10.1007/BF00973089

upstream raw materials:

1-Iodoheptane

1-Heptylamine

Downstream raw materials:

[Pd(BINAP)(I)(Ph)]