4-(2,4-Dichlorophenoxy)butanoic acid

Base Information

• Chemical Name: 4-(2,4-Dichlorophenoxy)butanoic acid
• CAS No.: 94-82-6
• Molecular Formula: C10H10Cl2O3
• Molecular Weight: 249.094
• Hs Code.: 29189900
• European Community (EC) Number: 202-366-9
• NSC Number: 70337
• UN Number: 3077,2588
• UNII: SL314DW868
• DSSTox Substance ID: DTXSID7024035
• Nikkaji Number: J3.948I
• Wikipedia: 2,4-DB
• Wikidata: Q229887
• Metabolomics Workbench ID: 52709
• ChEMBL ID: CHEMBL1892377
• Mol file: 94-82-6.mol

Synonyms:2,4 DM;2,4-DB;2,4-dichlorophenoxybutyric acid;2,4-DM;4-(2,4-dichlorophenoxy)butyric acid;4-(2,4-dichlorophenoxy)butyric acid, ammonium salt;4-(2,4-dichlorophenoxy)butyric acid, copper(2+) salt;4-(2,4-dichlorophenoxy)butyric acid, manganese(2+) salt;4-(2,4-dichlorophenoxy)butyric acid, potassium salt;4-(2,4-dichlorophenoxy)butyric acid, sodium salt;butyric acid, 4-(2,4-dichlorophenoxy)-

Chemical Property of 4-(2,4-Dichlorophenoxy)butanoic acid

Chemical Property:

• Appearance/Colour: Colorless crystals
• Vapor Pressure: 8.07E-06mmHg at 25°C
• Melting Point: 118-120 °C(lit.)
• Refractive Index: 1.552
• Boiling Point: 410.363 °C at 760 mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 201.98 °C
• PSA: 46.53000
• Density: 1.373 g/cm³
• LogP: 3.23700
• Storage Temp.: 0-6°C
• Water Solubility.: 53mg/L(room temperature)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 248.0006996
• Heavy Atom Count: 15
• Complexity: 211
• Transport DOT Label: Class 9

Purity/Quality:

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

4-(2,4-Dichlorophenoxy)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 25-29-46-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Chlorophenoxy
• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
• Uses: 4-(2,4-Dichlorophenoxy)butanoic Acid is a herbicide.

Technology Process of 4-(2,4-Dichlorophenoxy)butanoic acid

There total 11 articles about 4-(2,4-Dichlorophenoxy)butanoic 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-dichlorophenoxybutanol → 4-(2,4-dichlorophenoxy)butyric acid (94-82-6)

Guidance literature:

With platinum on activated charcoal; In water; at 80 - 85 ℃; under 8250.83 Torr; Reagent/catalyst; Pressure; Temperature;

Reference yield:

ethyl 4-(2,4-dichlorophenoxy)butanoate (42609-41-6) → 4-(2,4-dichlorophenoxy)butyric acid (94-82-6)

Guidance literature:

ethyl 4-(2,4-dichlorophenoxy)butanoate; With sodium hydroxide; In ethanol; water; for 3h; Reflux;

With hydrogenchloride; In ethanol; water; at 20 ℃; pH=1;

DOI:10.1016/j.bmcl.2015.10.041

Reference yield:

4-(2,4-dichlorophenoxy)butanenitrile (63867-25-4) → 4-(2,4-dichlorophenoxy)butyric acid (94-82-6)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/ja01195a604

upstream raw materials:

4-butanolide

sodium 2,4-dichlorophenolate

4-(2,4-dichlorophenoxy)butanenitrile

1-bromo-3-(2,4-dichlorophenoxy)propane

Refernces

• 1、 -. "A method for preparing chloro-benzene oxygen carboxylic acid (by machine translation)". . . Retrieved 2019/01/08.
• 2、 He, Xingrui,Yu, Zhaonan,Jiang, Shaojie,Zhang, Peizhi,Shang, Zhicai,Lou, Yonggen,Wu, Jun. "Finding new elicitors that induce resistance in rice to the white-backed planthopper Sogatella furcifera". . p. 5601 - 5603. Retrieved 2015/11/17.