1-Iodooctadecane

Base Information

• Chemical Name: 1-Iodooctadecane
• CAS No.: 629-93-6
• Molecular Formula: C18H37 I
• Molecular Weight: 380.396
• Hs Code.: 29033990
• European Community (EC) Number: 211-117-3
• NSC Number: 5544
• UNII: K8J7D7A7XG
• DSSTox Substance ID: DTXSID7060881
• Nikkaji Number: J526F
• Wikidata: Q72484240
• Mol file: 629-93-6.mol

Synonyms:1-IODOOCTADECANE;Octadecyl iodide;629-93-6;Stearyl iodide;Octadecane, 1-iodo-;n-Octadecyl iodide;K8J7D7A7XG;NSC 5544;NSC-5544;EINECS 211-117-3;iodooctadecane;octadecyliodide;Octadecyljodid;C18H37I;1-Iodooctadecane, 95%;UNII-K8J7D7A7XG;SCHEMBL226201;DTXSID7060881;NSC5544;C18-H37-I;MFCD00001090;AKOS015839785;AS-56768;CS-0179367;FT-0607967;I0065;D91071;W-104944

Chemical Property of 1-Iodooctadecane

Chemical Property:

• Appearance/Colour: Pale yellow crystalline
• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 33-35 °C(lit.)
• Refractive Index: 1.4762 (estimate)
• Boiling Point: 194-197 °C2 mm Hg(lit.),382.8 °C at 760 mmHg
• Flash Point: 147.8 °C
• PSA: 0.00000
• Density: 1.104 g/cm³
• LogP: 7.68290
• Solubility.: within almost transparency in Toluene
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 16
• Exact Mass: 380.19400
• Heavy Atom Count: 19
• Complexity: 145

Purity/Quality:

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

1-Iodooctadecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCCCCCCCCCCCCI
• Uses: Reagent for introduction of C18 chain.

Technology Process of 1-Iodooctadecane

There total 17 articles about 1-Iodooctadecane 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: 97.0%

1-octadecanol methyl ether (6838-81-9) → n-iodooctadecane (629-93-6)

Guidance literature:

With O-phenyl phosphorodichloridate; sodium iodide; In acetonitrile; for 8h; Heating;

Reference yield: 96.0%

1-octadecanol (112-92-5) → n-iodooctadecane (629-93-6)

Guidance literature:

With 1,2-Diiodoethane; triethylamine; triphenylphosphine; In 1,2-dichloro-ethane; at 25 ℃; for 1h;

DOI:10.1055/s-1983-30255

Reference yield: 90.0%

1-isopropoxy-octadecane (65018-62-4) → n-iodooctadecane (629-93-6)

Guidance literature:

With O-phenyl phosphorodichloridate; sodium iodide; In xylene; for 75h; Heating;

upstream raw materials:

1-octadecanol

batyl alcohol

n-octadecyl p-toluenesulfonate

thiocarbonic acid O-(4-chloro-phenyl) ester O-octadecyl ester

Downstream raw materials:

N-octadecyl-morpholine

n-hexacosane

trioctadecylamine

octadecyl malonic acid

Refernces

• 1、 Das, Diparjun,Chanda, Tridib,Rokhum, Lalthazuala. "Application of "click" chemistry in solid phase synthesis of alkyl halides". . p. 775 - 783. Retrieved 2016/01/20.
• 2、 Murray, Samuel M.,O'Brien, Richard A.,Mattson, Kaila M.,Ceccarelli, Christopher,Sykora, Richard E.,West, Kevin N.,Davis Jr., James H.. "The fluid-mosaic model, homeoviscous adaptation, and ionic liquids: Dramatic lowering of the melting point by side-chain unsaturation". body text. p. 2755 - 2758. Retrieved 2010/07/06.