2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid

Basic Information

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CAS Number

40843-25-2

Molecular Formula

C15H12Cl2O4

Molecular Weight

327.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

107°C

Boiling Point

440.5±45.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

220.2±28.7 °C

Solubility

DMSO (Slightly), Methanol (Slightly)

Refractive Index

1.593

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)

InChIKey

OOLBCHYXZDXLDS-UHFFFAOYSA-N

LogP

4.637600000000003

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

345

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid
4-(2',4'-dichlorophenoxy)-alpha-phenoxy-propionic acid
Diclofop (free acid)
DICLOFOP [ISO]
AMY14561
2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid
HOE 21079
HOE-21079
2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid
C18716
Propanoic acid, 2-(4-(2,4-dichlorophenoxy)phenoxy)-
CHEMBL2288781
Methyl 2-(4-(2,4-Dichlorophenyoxy)phenoxy)propanoate
DICLOFOP, (+/-)-
2-(4-(2',4'-DICHLOROPHENOXY)PHENOXY)PROPIONIC ACID
Q27155655
BRN 2338390
NS00101083
(+/-)-Diclofop
40843-25-2
Caswell No. 328B
CHEBI:145406
HOE-021079
Diclofop acid
Diclofop (free acid) 100 microg/mL in Acetonitrile
UNII-3LN56779KT
2-[4'-(2',4'-dichlorophenoxy)-phenoxy]propionic acid
SCHEMBL66474
MFCD00152216
1ST22082
DICHLORFOP ACID

MDL Number

MFCD00152216

Customs Code

2918990025

FAQ

What are the physical and chemical properties of 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2)?

2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2) is a white crystalline solid with a molecular weight of approximately 396.03 g/mol. It has a melting point of about 127-128°C and is slightly soluble in water. This compound is not highly reactive but can undergo acid-catalyzed esterification reactions. It is often used in chemical synthesis due to its stability and specific functional groups.

How is 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2) typically synthesized?

2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2) is typically synthesized via a multi-step process involving the first formation of a 2,4-dichlorophenol ester and subsequent coupling with a 4-hydroxyphenol. This process is often conducted in the presence of a base and a suitable solvent. The yield is generally high, with selectivity towards the desired product, making this a reliable method for its preparation.

What industries use 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2)?

2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the agricultural sector as part of herbicide formulations. Additionally, this compound may find applications in polymer science and as a reagent in analytical chemistry for its specific functional groups.

What precautions should be taken when handling 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2)?

When handling 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid (CAS: 40843-25-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up using absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.