2,4,6-Tris(chloromethyl)-1,3,5-trioxane

Base Information

• Chemical Name: 2,4,6-Tris(chloromethyl)-1,3,5-trioxane
• CAS No.: 1129-52-8
• Molecular Formula: C6H9Cl3O3
• Molecular Weight: 235.495
• Hs Code.: 2934999090
• European Community (EC) Number: 214-450-2
• NSC Number: 146373
• UNII: KV5042R39T
• DSSTox Substance ID: DTXSID30150204
• Nikkaji Number: J25.358H,J3.272.717D
• Wikidata: Q27282452
• Mol file: 1129-52-8.mol

Synonyms:2,4,6-Tris(chloromethyl)-1,3,5-trioxane;1129-52-8;Chloroacetaldehyde trimer;Acetaldehyde, chloro-, trimer;s-Trioxane, 2,4,6-tris(chloromethyl)-;EINECS 214-450-2;1,3,5-Trioxane, 2,4,6-tris(chloromethyl)-;2,4,6-Tris(chloromethyl)-s-trioxane;NSC 146373;UNII-KV5042R39T;KV5042R39T;NSC-146373;Trichloroparaldehyde;1,3,5-Trioxane,2,4,6-tris(chloromethyl)-;SCHEMBL3747618;(C2-H3-Cl-O)3;C(Cl)C1OC(CCl)OC(CCl)O1;DTXSID30150204;NSC146373;s-Trioxane,4,6-tris(chloromethyl)-;LS-7901;1,5-Trioxane, 2,4,6-tris(chloromethyl)-;2beta,4beta,6beta-Tris(chloromethyl)-1,3,5-trioxane;Q27282452

Chemical Property of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane

Chemical Property:

• Melting Point: 88-89 °C
• Boiling Point: 302.3 °C at 760 mmHg
• Flash Point: 122.7 °C
• PSA: 27.69000
• Density: 1.33 g/cm³
• LogP: 1.74450
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.961727
• Heavy Atom Count: 12
• Complexity: 99.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-TRIS(CHLOROMETHYL)-1,3,5-TRIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1OC(OC(O1)CCl)CCl)Cl

Technology Process of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane

There total 4 articles about 2,4,6-Tris(chloromethyl)-1,3,5-trioxane 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: 51.0%

2-chloroethanal (107-20-0) → 2,4,6-tris(chloromethyl)-1,3,5-trioxane (1129-52-8)

Guidance literature:

With sulfuric acid; water; In hexane; at -5 ℃; for 3h; other solvent, other time, other temperature, also without solvent;

DOI:10.1246/cl.1992.171

Reference yield:

paracetaldehyde (123-63-7) → 2,4,6-tris(chloromethyl)-1,3,5-trioxane (1129-52-8)

Guidance literature:

With sulfuric acid; chlorine; water; Yield given. Multistep reaction; 1.) 1 - 10 deg C, 6 h, 2.) hexane, -5 deg C, 3 h;

DOI:10.1246/cl.1992.171

Reference yield:

oxalic acid (144-62-7,97993-78-7) + chloroacetaldehyde diethyl acetal (621-62-5) → 2,4,6-tris(chloromethyl)-1,3,5-trioxane (1129-52-8)

Guidance literature:

upstream raw materials:

oxalic acid

chloroacetaldehyde diethyl acetal

2-chloroethanal

paracetaldehyde

Downstream raw materials:

2-chloroethanal

doxofylline

Refernces

• 1、 Wakasugi, Takashi,Tonouchi, Naka,Miyakawa, Tadashi,Ishizuka, Makoto,Yamauchi, Takashi,et al.. "Preparation of Chloroacetaldehyde Cyclic Trimer and Its Depolymerization". . p. 171 - 172. Retrieved 2007/10/02.