1,8-Dichlorooctane

Base Information

• Chemical Name: 1,8-Dichlorooctane
• CAS No.: 2162-99-4
• Molecular Formula: C8H16Cl2
• Molecular Weight: 183.121
• Hs Code.: 29031980
• European Community (EC) Number: 218-490-1
• DSSTox Substance ID: DTXSID4062226
• Nikkaji Number: J80.415K
• Wikidata: Q57981743
• Mol file: 2162-99-4.mol

Synonyms:1,8-dichlorooctane

Chemical Property of 1,8-Dichlorooctane

Chemical Property:

• Appearance/Colour: clear, colorless Liquid
• Vapor Pressure: 0.057mmHg at 25°C
• Melting Point: -8 °C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 241 °C at 760 mmHg
• Flash Point: 118 ºC
• PSA: 0.00000
• Density: 1.025
• LogP: 3.80460
• Storage Temp.: Store below +30°C.
• Solubility.: 0.17g/l
• Water Solubility.: 0.17 G/L (20 ºC)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 182.0629059
• Heavy Atom Count: 10
• Complexity: 47.2

Purity/Quality:

98.0%Min ^*data from raw suppliers

1,8-Dichlorooctane >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCCl)CCCCl
• Uses: 1,8-Dichlorooctane may be used:as adsorbate to investigate the performance of carbonaceous materials for the adsorption of emerging pollutantsto prepare the C20-backbone of 1,20-substituted eicosanes carrying phosphate headgroups and readily derivatizable thiol, maleimido, and activated carboxylic ester moietiesin the synthesis of planar-chiral imidazolium saltin the preparation of biosensorsin the fabrication of strong polymeric membranes for concentrating amino acids, having applications in food and pharmaceutical industryin the synthesis of perfluorocarbons having biomedical applications

Technology Process of 1,8-Dichlorooctane

There total 12 articles about 1,8-Dichlorooctane 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%

1,8-Octanediol (629-41-4) → 1,8-dichlorooctane (2162-99-4)

Guidance literature:

With Amberlite IRA 93 (PCl₅ form); In hexane; for 5h; Heating;

DOI:10.1055/s-1983-30314

Reference yield: 94.0%

Bis-chlorameisensaeure-octamethylenester (51772-87-3) → 1,8-dichlorooctane (2162-99-4)

Guidance literature:

With hexabutylguanidinium chloride; at 120 ℃; for 4h;

DOI:10.1081/SCC-100000525

Reference yield: 38.0%

4-chlorobutyl bromide (6940-78-9) → 1,8-dichlorooctane (2162-99-4)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; nickel⁽⁰⁾ 2,2'-bipyridyl complex; Product distribution; electrochemical reduction;;

DOI:10.1016/0022-328X(86)80044-4

upstream raw materials:

1,8-Octanediol

n-chlorooctane

5-chloro-valeric acid

4-chlorobutylmagnesium bromide

Downstream raw materials:

1,8-diisothiocyanatooctane

sebaconitrile

C₃₄H₄₆O₈

C₃₄H₄₆O₈

Refernces

• 1、 Leadbeater, Nicholas E.,Torenius, Hanna M.,Tye, Heather. "Ionic liquids as reagents and solvents in conjunction with microwave heating: Rapid synthesis of alkyl halides from alcohols and nitriles from aryl halides". . p. 2253 - 2258. Retrieved 2007/10/03.
• 2、 Delaney, Paul A.,Johnstone, Robert A. W.,Leonard, Paul A.,Regan, Peter. "Novel Fused Bicyclic Sulphur Compounds". . p. 285 - 289. Retrieved 2007/10/02.