1,12-Dichlorododecane

Base Information

• Chemical Name: 1,12-Dichlorododecane
• CAS No.: 3922-28-9
• Molecular Formula: C12H24Cl2
• Molecular Weight: 239.229
• Hs Code.: 2903199000
• European Community (EC) Number: 223-492-0
• DSSTox Substance ID: DTXSID00192479
• Nikkaji Number: J79.879G
• Wikidata: Q83065166
• Mol file: 3922-28-9.mol

Synonyms:1,12-Dichlorododecane;3922-28-9;EINECS 223-492-0;Dodecamethylene dichloride;Dodecane, 1,12-dichloro-;C12H24Cl2;starbld0018404;SCHEMBL2369172;DTXSID00192479;C12-H24-Cl2;AKOS024390896;FT-0606046

Chemical Property of 1,12-Dichlorododecane

Chemical Property:

• Vapor Pressure: 0.00141mmHg at 25°C
• Melting Point: 28-30oC(lit.)
• Refractive Index: 1.4508 (estimate)
• Boiling Point: 170-172 °C10 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 0.00000
• Density: 0.95
• LogP: 5.36500
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 238.1255062
• Heavy Atom Count: 14
• Complexity: 82.3

Purity/Quality:

99% ^*data from raw suppliers

1,12-DICHLORODODECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCl)CCCCCCl

Technology Process of 1,12-Dichlorododecane

There total 16 articles about 1,12-Dichlorododecane 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: 88.0%

C14H24Cl2O4 → 1,12-dichlorododecane (3922-28-9)

Guidance literature:

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

DOI:10.1081/SCC-100000525

Reference yield: 52.0%

1-chloro-6-iodohexane (34683-73-3) → 1-Chlorohexane (544-10-5) + 6-chlorohexene (928-89-2) + 1,12-dichlorododecane (3922-28-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 25 ℃; Electrolysis;

DOI:10.1016/j.electacta.2016.09.066

Reference yield: 47.0%

1-chloro-5-hexyne (10297-06-0) + para-diiodobenzene (624-38-4,1032416-46-8) → 1,4-bis-(6-chloro-hexyl)-benzene + 1,12-dichlorododecane (3922-28-9)

Guidance literature:

1-chloro-5-hexyne; para-diiodobenzene; With copper(l) iodide; diisopropylamine; triphenylphosphine; dichloro bis(acetonitrile) palladium(II); for 5h; Further stages.; Heating;

DOI:10.1039/b709576g

upstream raw materials:

7-chloroheptanoic acid

dodecane

1-bromo-6-chlorohexane

1-chloro-6-iodohexane

Downstream raw materials:

Octatriacontan-1,38-diol

α,ω-diaminotetradecane

1,14-tetradecanedioic acid

pentadecanedioic acid

Refernces

• 1、 Rose, John A.,McGuire, Caitlyn M.,Hansen, Angela M.,Karty, Jonathan A.,Mubarak, Mohammad S.,Peters, Dennis G.. "Direct Reduction of 1-Bromo-6-chlorohexane and 1-Chloro-6-iodohexane at Silver Cathodes in Dimethylformamide". . p. 311 - 317. Retrieved 2016/10/05.
• 2、 Violleau,Thiebaud,Borredon,Le Gars. "A safe and efficient procedure to prepare alkyl and alkoxyalkyl chlorides and dichlorides by catalytic decomposition of the corresponding alkyl and alkoxyalkyl chloroformates and bischloroformates with hexabutylguanidinium chloride". . p. 367 - 373. Retrieved 2007/10/03.