Ethylene glycol bis(trichloroacetate)

Base Information

• Chemical Name: Ethylene glycol bis(trichloroacetate)
• CAS No.: 2514-53-6
• Molecular Formula: C6H4 Cl6 O4
• Molecular Weight: 352.813
• Hs Code.: 2915400090
• European Community (EC) Number: 219-732-9
• NSC Number: 56114,41932,23189
• UNII: JX69068G2R
• DSSTox Substance ID: DTXSID7041960
• Nikkaji Number: J34.744B
• Wikidata: Q27155851
• Mol file: 2514-53-6.mol

Synonyms:TCA-ethadyl;Ethylene glycol bis(trichloroacetate);2514-53-6;Glytac;Ethylene trichloroacetate;TCA-ethadyl [ISO];Glycol bis(trichloroacetate);Ethylene bis(trichloroacetate);Caswell No. 441A;2-(2,2,2-trichloroacetyl)oxyethyl 2,2,2-trichloroacetate;EGT;Acetic acid, trichloro-, ethylene ester;Ethylenglykoltrichloracetat [Czech];Ethylenglykoltrichloracetat;EINECS 219-732-9;Acetic acid, trichloro-, 1,2-ethanediyl ester;NSC 23189;NSC 41932;NSC 56114;EPA Pesticide Chemical Code 042201;BRN 1801835;UNII-JX69068G2R;AI3-32586;ETHYLENE GLYCOL, BIS(TRICHLOROACETATE);Acetic acid, trichloro-, ethylene ester (2:1);JX69068G2R;NSC-23189;NSC-41932;NSC-56114;WLN: GXGGVO2OVXGGG;4-02-00-00517 (Beilstein Handbook Reference);Acetic acid, ethylene ester (2:1);TCA ETHADYL;Ethylene bistrichloroacetate;C6H4Cl6O4;SCHEMBL1457249;C6-H4-Cl6-O4;DTXSID7041960;CHEBI:82269;Ethyleneglycolbis (trichloroacetate);NSC23189;NSC41932;NSC56114;1,2-BIS(TRICHLOROACETOXY)ETHANE;LS-68533;C19149;ethane-1,2-diyl bis(2,2,2-trichloroacetate);2-[(2,2,2-trichloroacetyl)oxy]ethyl trichloroacetate;Q27155851;ACETIC ACID, 2,2,2-TRICHLORO-, 1,1'-(1,2-ETHANEDIYL) ESTER

Chemical Property of Ethylene glycol bis(trichloroacetate)

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Melting Point: 40°C
• Boiling Point: 337°C at 760 mmHg
• Flash Point: 132.5°C
• PSA: 52.60000
• Density: 1.738g/cm³
• LogP: 2.81320
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 351.821125
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl

Technology Process of Ethylene glycol bis(trichloroacetate)

There total 2 articles about Ethylene glycol bis(trichloroacetate) 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: 95.0%

ethylene glycol (107-21-1) + trichloroacetic acid (76-03-9) → 1,2-bis-trichloroacetoxy-ethane (2514-53-6)

Guidance literature:

ammonium cerium(IV) nitrate; In chloroform; at 55 - 60 ℃;

DOI:10.1039/b005908k

Reference yield:

ethylene glycol (107-21-1) + trifluoroacetyl chloride (76-02-8) → 1,2-bis-trichloroacetoxy-ethane (2514-53-6)

Guidance literature:

With pyridine;

DOI:10.1021/ja01162a606

Reference yield: 78.0%

1,2-bis-trichloroacetoxy-ethane (2514-53-6) + hexanoic acid (142-62-1) → 1,2-ethylene glycol dihexanoate (624-06-6)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; at 90 - 150 ℃; for 2h;

upstream raw materials:

ethylene glycol

trifluoroacetyl chloride

trichloroacetic acid

Downstream raw materials:

1,2-ethanediol, dibenzoate

1,2-ethylene glycol dihexanoate

Refernces