1-Chlorohexadecane

Base Information

• Chemical Name: 1-Chlorohexadecane
• CAS No.: 4860-03-1
• Molecular Formula: C16H33Cl
• Molecular Weight: 260.891
• Hs Code.: 2903.19
• European Community (EC) Number: 225-461-7
• NSC Number: 57106,43727
• UNII: WQ5ZKS3EK3
• DSSTox Substance ID: DTXSID3027580
• Nikkaji Number: J1.832E
• Wikidata: Q27292774
• ChEMBL ID: CHEMBL3184566
• Mol file: 4860-03-1.mol

Synonyms:1-chlorohexadecane

Chemical Property of 1-Chlorohexadecane

Chemical Property:

• Appearance/Colour: Liquid
• Vapor Pressure: 129 mm Hg ( 21 °C)
• Melting Point: 8-14 °C(lit.)
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 321.8 °C at 760 mmHg
• Flash Point: 138.1 °C
• PSA: 0.00000
• Density: 0.858 g/cm³
• LogP: 6.70650
• Storage Temp.: Store below +30°C.
• Solubility.: <0.02g/l
• Water Solubility.: 0.02 g/L (20 ºC, Dec.)
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 260.2270787
• Heavy Atom Count: 17
• Complexity: 123

Purity/Quality:

98.0%min ^*data from raw suppliers

1-Chlorohexadecane ^*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

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCl
• Uses: 1-Chlorohexadecane is used as chemical intermediate. 1-Chlorohexadecane is used as solvent , surfactants, pharmaceuticals, antibacterial spray.

Technology Process of 1-Chlorohexadecane

There total 36 articles about 1-Chlorohexadecane 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: 100.0%

2-dimethylamino-ethanesulfonic acid hexadecyl ester; hydrochloride (66143-55-3) → 1-Chlorohexadecan (4860-03-1)

Guidance literature:

In benzene; at 81 ℃; for 0.5h;

DOI:10.1021/ja00389a038

Reference yield: 98.0%

1-Hexadecanol (36653-82-4,124-29-8) → 1-Chlorohexadecan (4860-03-1)

Guidance literature:

With tetrachloromethane; cross-linked polymer (containing 2.50 mmol of phosphine/g); for 2h; Heating;

DOI:10.1021/jo00169a022

Reference yield: 97.7%

1-chloro-7-hexadecyne (24471-13-4) → 1-Chlorohexadecan (4860-03-1)

Guidance literature:

With sodium tetrahydroborate; hydrogen; nickel diacetate; zinc(II) oxide; In ethanol; at 35 - 55 ℃; for 40.5h;

upstream raw materials:

ethene

1-Hexadecanol

1-(2-tetrahydropyranyloxy)hexadecane

2-dimethylamino-ethanesulfonic acid hexadecyl ester; hydrochloride

Downstream raw materials:

cetylpyridinium chloride

cetyldimethylbenzylammonium chloride

1-(2,4,5-trimethyl-phenyl)-hexadecane

hexadecyl acetate