cis-1,3-Dichloropropene oxide

Base Information

• Chemical Name: cis-1,3-Dichloropropene oxide
• CAS No.: 66826-72-0
• Molecular Formula: C3H4Cl2O
• Molecular Weight: 126.97
• Hs Code.: 2910900090
• DSSTox Substance ID: DTXSID40985382
• Nikkaji Number: J1.020.456I
• Wikidata: Q82972899
• Mol file: 66826-72-0.mol

Synonyms:1,3-dichloropropene oxide;2-chloro-3-(chloromethyl)oxirane;2-chloro-3-(chloromethyl)oxirane, (trans)-isomer;cis-2-chloro-3-(chloromethyl)oxirane;trans-2-chloro-3-(chloromethyl)oxirane

Chemical Property of cis-1,3-Dichloropropene oxide

Chemical Property:

• Vapor Pressure: 1.7mmHg at 25°C
• Refractive Index: 1.4819 (estimate)
• Boiling Point: 173.4°C at 760 mmHg
• Flash Point: 151.8°C
• PSA: 12.53000
• Density: 1.41g/cm³
• LogP: 1.18890
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.9639201
• Heavy Atom Count: 6
• Complexity: 56.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(O1)Cl)Cl
• Isomeric SMILES: C([C@H]1[C@H](O1)Cl)Cl

Technology Process of cis-1,3-Dichloropropene oxide

There total 2 articles about cis-1,3-Dichloropropene oxide 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:

→ cis-1,3-Dichlorpropenoxid (66826-72-0,66826-73-1)

Guidance literature:

cis-1,3-Dichlorpropen, m-Chlorperbenzoesaeure;

DOI:10.1021/jo00412a038

Reference yield:

→ trans-1,3-Dichlorpropenoxid (66826-72-0,66826-73-1)

Guidance literature:

trans-1,3-Dichlorpropen, m-Chlorperbenzoesaeure;

DOI:10.1021/jo00412a038

Reference yield: 52.0%

cis-1,3-dichloropropene epoxide (66826-72-0) → 2,3-dichloropropanal (10140-89-3) + 2,5-Dihydroxy-3,6-bis(chloromethyl)-1,4-dioxane (76429-86-2)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃; for 168h; Title compound not separated from byproducts; pH 7.4;

DOI:10.1021/jo00320a029

Downstream raw materials:

2,3-dichloropropanal

2-Hydroxy-3-chloropropanal

2,5-Dihydroxy-3,6-bis(chloromethyl)-1,4-dioxane