2,4,5-Trichlorophenoxyacetyl chloride

Base Information

• Chemical Name: 2,4,5-Trichlorophenoxyacetyl chloride
• CAS No.: 777-08-2
• Molecular Formula: C8H4 Cl4 O2
• Molecular Weight: 273.931
• NSC Number: 190476
• DSSTox Substance ID: DTXSID10307234
• Wikidata: Q82054601
• Mol file: 777-08-2.mol

Synonyms:2,4,5-trichlorophenoxyacetyl chloride;777-08-2;NSC190476;SCHEMBL3165661;DTXSID10307234;AZFAIOQVEYTPKD-UHFFFAOYSA-N;NSC-190476

Chemical Property of 2,4,5-Trichlorophenoxyacetyl chloride

Chemical Property:

• Vapor Pressure: 0.000193mmHg at 25°C
• Boiling Point: 328.2°Cat760mmHg
• Flash Point: 139.1°C
• Density: 1.571g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 273.893590
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)Cl

Technology Process of 2,4,5-Trichlorophenoxyacetyl chloride

There total 4 articles about 2,4,5-Trichlorophenoxyacetyl chloride 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:

2,4,5-Trichlorophenoxyacetic acid (93-76-5) → 2-(2,4,5-trichlorophenoxy)acetyl chloride (777-08-2)

Guidance literature:

With tetrachloromethane; phosphorus pentachloride;

Reference yield:

thionyl chloride (7719-09-7) + 2,4,5-Trichlorophenoxyacetic acid (93-76-5) → 2-(2,4,5-trichlorophenoxy)acetyl chloride (777-08-2)

Guidance literature:

In benzene; for 2.5h; Heating / reflux;

Reference yield:

2,4,5-trichlorophenol (95-95-4) → 2-(2,4,5-trichlorophenoxy)acetyl chloride (777-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide

2: thionyl chloride / Reflux

With thionyl chloride; sodium hydroxide;

DOI:10.1080/10426507.2013.858251

upstream raw materials:

2,4,5-Trichlorophenoxyacetic acid

thionyl chloride

2,4,5-trichlorophenol

Downstream raw materials:

N,N'-bis-[(2,4,5-trichloro-phenoxy)-acetyl]-L-cystine

(2,4,5-trichloro-phenoxy)-acetic acid pentachlorophenyl ester

(2,4,5-trichloro-phenoxy)-acetic acid amide

(2,4,5-trichloro-phenoxy)-ketene

Refernces

• 1、 Jiang, Dingxin,Zheng, Xiaohua,Shao, Guang,Ling, Zhang,Xu, Hanhong. "Discovery of a novel series of phenyl pyrazole inner salts based on fipronil as potential dual-target insecticides". . p. 3577 - 3583. Retrieved 2014/05/20.
• 2、 Hu, Bing,Zhai, Yue-Yuan,Zhang, Ling,Zhang, You-Ming,Wei, Tai-Bao. "Synthesis, Structure, and Properties of the 2-[5-(Aryloxyacetyl)-Amino-1,3,4-Thiadiazol-2-Ylthio] Propionate Derivatives". . p. 1337 - 1345. Retrieved 2015/10/29.