2,4,5-Trichlorophenylacetic acid

Base Information

• Chemical Name: 2,4,5-Trichlorophenylacetic acid
• CAS No.: 2903-64-2
• Molecular Formula: C₈H₅Cl₃O₂
• Molecular Weight: 239.485
• Hs Code.: 2916399090
• UNII: UR02861K5R
• DSSTox Substance ID: DTXSID2041337
• Nikkaji Number: J7.931F
• Wikidata: Q27291220
• Mol file: 2903-64-2.mol

Synonyms:2,4,5-Trichlorophenylacetic acid;2903-64-2;Caswell No. 882D;2,4,5-Trichlorobenzeneacetic acid;UNII-UR02861K5R;Benzeneacetic acid, 2,4,5-trichloro-;UR02861K5R;EPA Pesticide Chemical Code 082603;2-(2,4,5-trichlorophenyl)acetic acid;SCHEMBL4837065;DTXSID2041337;Acetic acid, (2,4,5-trichlorophenyl)-;Q27291220

Chemical Property of 2,4,5-Trichlorophenylacetic acid

Chemical Property:

• Vapor Pressure: 1.32E-05mmHg at 25°C
• Boiling Point: 353.5°C at 760 mmHg
• Flash Point: 167.6°C
• PSA: 37.30000
• Density: 1.568g/cm³
• LogP: 3.27390
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.935512
• Heavy Atom Count: 13
• Complexity: 198

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)CC(=O)O

Technology Process of 2,4,5-Trichlorophenylacetic acid

There total 3 articles about 2,4,5-Trichlorophenylacetic acid 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-trichlorotoluene (6639-30-1) → 2,4,5-Trichloro-phenylacetic acid (2903-64-2)

Guidance literature:

Multi-step reaction with 3 steps

1: N-bromosuccinimide / benzoyl peroxide / CCl₄

2: dimethylsulfoxide / 5 h / 40 - 50 °C

3: 25 percent NaOH / ethanol / Heating

With sodium hydroxide; N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; ethanol; dimethyl sulfoxide;

DOI:10.1016/0031-9422(88)80592-2

Reference yield:

(2,4,5-trichlorophenyl)methyl bromide (81778-11-2) → 2,4,5-Trichloro-phenylacetic acid (2903-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide / 5 h / 40 - 50 °C

2: 25 percent NaOH / ethanol / Heating

With sodium hydroxide; In ethanol; dimethyl sulfoxide;

DOI:10.1016/0031-9422(88)80592-2

Reference yield:

1,2,4-trichloro-5-chloromethyl-benzene (3955-26-8) → 2,4,5-Trichloro-phenylacetic acid (2903-64-2)

Guidance literature:

With sodium cyanide; ethanol; Erhitzen des gebildeten Reaktionsprodukts mit wss.-aethanol. Natronlauge;

upstream raw materials:

1,2,4-trichloro-5-chloromethyl-benzene

2,4,5-trichlorotoluene

(2,4,5-trichlorophenyl)methyl bromide

Downstream raw materials:

2-Brom-2-(2,4,5-trichlorphenyl)-acetamid