4-(2,4,5-Trichlorophenoxy)butyric acid

Base Information

• Chemical Name: 4-(2,4,5-Trichlorophenoxy)butyric acid
• CAS No.: 93-80-1
• Molecular Formula: C10H9 Cl3 O3
• Molecular Weight: 283.539
• Hs Code.: 2918990090
• European Community (EC) Number: 202-278-0
• NSC Number: 102787
• UNII: 8JM4UCP94P
• DSSTox Substance ID: DTXSID7041334
• Nikkaji Number: J4.686H
• Wikidata: Q27270641
• Mol file: 93-80-1.mol

Synonyms:4-(2,4,5-trichlorophenoxy)butyric acid

Chemical Property of 4-(2,4,5-Trichlorophenoxy)butyric acid

Chemical Property:

• Vapor Pressure: 1.89E-08mmHg at 25°C
• Melting Point: 114.5°C
• Refractive Index: 1.565
• Boiling Point: 438.1°C at 760 mmHg
• PKA: 4.54±0.10(Predicted)
• Flash Point: 218.8°C
• PSA: 46.53000
• Density: 1.465g/cm³
• LogP: 3.89040
• Water Solubility.: 42mg/L(25 oC)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 281.961727
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

4-(2,4,5-TRICHLOROPHENOXY)-BUTYRIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2,4,5-Trichlorophenoxy)butyric acid

There total 2 articles about 4-(2,4,5-Trichlorophenoxy)butyric 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:

4-butanolide (96-48-0) + C6H2Cl3O(1-)*5H2O*Na(1+) (6138-29-0,131378-54-6) → 4-(2,4,5-trichlorophenoxy)butyric acid (93-80-1)

Guidance literature:

With butan-1-ol; at 160 ℃;

Reference yield:

1-Chlor-3-<2,4,5-trichlor-phenoxy>-propan (109046-79-9) + sodium cyanide (143-33-9,25596-52-5) → 4-(2,4,5-trichlorophenoxy)butyric acid (93-80-1)

Guidance literature:

With ethanol; Erhitzen des Reaktionsprodukts mit wss.-aethanol. KOH;

upstream raw materials:

4-butanolide

C₆H₂Cl₃O^(1-)*5H₂O*Na⁽¹⁺⁾

1-Chlor-3-<2,4,5-trichlor-phenoxy>-propan

sodium cyanide