1-Chloro-3-(3-chloropropoxy)propane

Base Information

• Chemical Name: 1-Chloro-3-(3-chloropropoxy)propane
• CAS No.: 629-36-7
• Molecular Formula: C6H12 Cl2 O
• Molecular Weight: 171.067
• European Community (EC) Number: 211-088-7
• NSC Number: 6249
• DSSTox Substance ID: DTXSID8060872
• Nikkaji Number: J130.662F
• Wikidata: Q81989209
• Mol file: 629-36-7.mol

Synonyms:629-36-7;1-Chloro-3-(3-chloropropoxy)propane;Bis(3-chloropropyl) ether;1-CHLORO-3-(3-CHLORO-PROPOXY)-PROPANE;Propane, 1,1'-oxybis[3-chloro-;bis-(3-chloro-propyl)-ether;1,1'-Oxybis(3-chloropropane);1,1'-Oxybis[3-chloropropane];Propane, 1,1'-oxybis(3-chloro-;Propane, 1,1'-oxybis*3-chloro-;NSC 6249;EINECS 211-088-7;MFCD08437454;NSC6249;2-chloro-ethylmethylether;SCHEMBL409599;Propane,1'-oxybis[3-chloro-;DTXSID8060872;NSC-6249;AKOS024262718;AB91784;FD13137;1-Chloro-3-(3-chloropropoxy)propane #;AS-48894;SY116045;CS-0169240

Chemical Property of 1-Chloro-3-(3-chloropropoxy)propane

Chemical Property:

• Vapor Pressure: 0.282mmHg at 25°C
• Melting Point: <-80℃
• Refractive Index: 1.45182 (589.3 nm 20℃)
• Boiling Point: 216℃
• Flash Point: 51.8°C
• PSA: 9.23000
• Density: 1.091g/cm³
• LogP: 2.26080
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 170.0265204
• Heavy Atom Count: 9
• Complexity: 44.3

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-3-(3-chloropropoxy)propane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(COCCCCl)CCl

Technology Process of 1-Chloro-3-(3-chloropropoxy)propane

There total 4 articles about 1-Chloro-3-(3-chloropropoxy)propane 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: 53.0%

C6H12O7S2(2-)*2Na(1+) → bis(3-chloropropyl)ether (629-36-7)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 1,2-Dichloropropane (26198-63-0,78-87-5) + bis(3-chloropropyl)ether (629-36-7) + bis(1-chloro-2-propyl) ether (108-60-1,52438-91-2) + 1-Chloro-2-propanol (127-00-4)

Guidance literature:

With hypochloric acid; chlorine; In butanone; at 20 ℃; for 0.00833333h; Title compound not separated from byproducts; in a rotor-pulsation apparatus;

Reference yield:

1-chloro-3-hydroxypropane (627-30-5) → bis(3-chloropropyl)ether (629-36-7)

Guidance literature:

With sulfuric acid;

upstream raw materials:

1-chloro-3-hydroxypropane

propene

Downstream raw materials:

2,10-diphenyl-6-oxa-2,10-diphosphabicyclo<9.4.0>pentadeca-11(1),12,14-triene

1-Bromo-4-(2-Methoxyethoxy)-benzene

2-(2-methoxyethyl)-4-(4-chlorophenyl)-1-(2H)-phthalazinone

bis-[3-(toluene-4-sulfonyl)-propyl]-ether

Refernces

• 1、 Carlsen, Per H. J.,Rist, Oeystein,Lund, Turid,Helland, Irene. "Desulfonation of Alkanesulfonates and Sulfonyl Chlorides". . p. 701 - 702. Retrieved 2007/10/03.