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4-(2,4-DICHLOROPHENOXY) PHENOL

4-(2,4-Dichlorophenoxy) phenol can be used in chromatographic and mass-spectrometric analytical research as a reference compound for the identification of diclofop-related degradation products.
4-(2,4-Dichlorophenoxy) phenol can also be used in studies investigating the transformation of chlorinated diphenyl ethers in soil, water, sediment, and microbial systems.

CAS Number: 40843-73-0
EC Number: 255-106-1
Molecular Formula: C12H8Cl2O2
Molecular Weight: 255.10 g/mol

SYNONYMS:
4-(2,4-Dichlorophenoxy)phenol, p-(2,4-Dichlorophenoxy)phenol, Phenol, 4-(2,4-dichlorophenoxy)-, 4-(2,4-dichlorphenoxy)phenol, 4-(2,4-dichlorophenoxy)-phenol, 4-(2',4'-dichlorophenoxy)-phenol, 4-(2',4'-DICHLOROPHENOXY)PHENOL, Diclofop-phenol, EINECS 255-106-1, MFCD08446912, DTXSID3068259, 4-(2,4-Dichlorophenoxy)phenol, Phenol, 4-(2,4-dichlorophenoxy)-, P-(2,4-DICHLOROPHENOXY)PHENOL, 4DWA4SN6HT, EINECS 255-106-1, DTXSID3068259, RefChem:96987, DTXCID3039822, 255-106-1, 40843-73-0, MFCD08446912, 4-(2,4'-Dichlorophenxy)phenol, 4-(2',4'-dichlorophenoxy)-phenol, 4-(2',4'-DICHLOROPHENOXY)PHENOL, UNII-4DWA4SN6HT, SCHEMBL3469104, SCHEMBL8502158, CHEMBL4290691, 4-(2,4-dichlorophenoxy)-phenol, AKOS002678553, BS-52302, SY113111, 4-(2,4-Dichlorophenoxy)phenol, AldrichCPR, CS-0000190, NS00030857, F243259

4-(2,4-Dichlorophenoxy) phenol is a chlorinated diphenyl ether phenol containing two chlorine atoms, two oxygen atoms, and two aromatic rings.
4-(2,4-Dichlorophenoxy) phenol is also known as p-(2,4-dichlorophenoxy)phenol and Phenol, 4-(2,4-dichlorophenoxy)-.
4-(2,4-Dichlorophenoxy) phenol has the CAS Registry Number 40843-73-0, EC Number 255-106-1, molecular formula C12H8Cl2O2, and molecular weight 255.10 g/mol.

Researchers appreciate 4-(2,4-Dichlorophenoxy) phenol for its effectiveness and stability, which enhances its utility in laboratory settings.
Its unique properties enable 4-(2,4-Dichlorophenoxy) phenol to function as a selective agent, targeting specific biological pathways while minimizing impact on non-target organisms.

This selectivity is particularly beneficial in the formulation of environmentally friendly pest control solutions.
With its proven track record and diverse applications, 4-(2,4-Dichlorophenoxy) phenol stands out as a reliable choice for professionals seeking effective solutions in agriculture and chemical synthesis.

4-(2,4-Dichlorophenoxy) phenol is a versatile compound recognized for its applications in various industrial and research settings.
4-(2,4-Dichlorophenoxy) phenol, often referred to as DCP, is primarily utilized as a herbicide and fungicide, making it invaluable in agricultural practices.

4-(2,4-Dichlorophenoxy) phenol‘s ability to inhibit the growth of unwanted plants and fungi allows for improved crop yields and healthier agricultural ecosystems.
Additionally, 4-(2,4-Dichlorophenoxy) phenol serves as an important intermediate in the synthesis of other chemical compounds, contributing to the development of various products in the pharmaceutical and chemical industries.

USES and APPLICATIONS of 4-(2,4-DICHLOROPHENOXY) PHENOL:
4-(2,4-Dichlorophenoxy) phenol is primarily encountered as a research chemical, analytical reference material, environmental contaminant/metabolite standard, and chemical intermediate, rather than as a widely used commercial consumer chemical.
One important application of 4-(2,4-Dichlorophenoxy) phenol is environmental analysis.
4-(2,4-Dichlorophenoxy) phenol can be used as an analytical reference standard for investigating the environmental degradation and metabolism of diclofop-methyl and related herbicide compounds.

4-(2,4-Dichlorophenoxy) phenol is useful in environmental fate studies where researchers need to identify and quantify transformation products generated from chlorinated phenoxy herbicides.
4-(2,4-Dichlorophenoxy) phenol can be used in chromatographic and mass-spectrometric analytical research as a reference compound for the identification of diclofop-related degradation products.

4-(2,4-Dichlorophenoxy) phenol can also be used in studies investigating the transformation of chlorinated diphenyl ethers in soil, water, sediment, and microbial systems.
4-(2,4-Dichlorophenoxy) phenol is relevant to environmental monitoring because its detection can provide information about the degradation pathway of diclofop-related herbicides.

4-(2,4-Dichlorophenoxy) phenol is also useful in research involving chlorinated phenoxyphenols and their environmental transformation products.
4-(2,4-Dichlorophenoxy) phenol can serve as a chemical reference compound in toxicological, environmental, and analytical investigations.

4-(2,4-Dichlorophenoxy) phenol may also be employed as a research intermediate in synthetic chemistry involving substituted diphenyl ethers and phenolic compounds.
Commercial suppliers generally market 4-(2,4-Dichlorophenoxy) phenol for laboratory or research purposes rather than for direct consumer, food, cosmetic, pharmaceutical, or agricultural use.

BENEFITS AND ADVANTAGES of 4-(2,4-DICHLOROPHENOXY) PHENOL:
A major advantage of 4-(2,4-Dichlorophenoxy) phenol for laboratory research is that it has a clearly defined molecular structure and CAS number, allowing laboratories to obtain an identifiable reference material.
Its chemical structure makes 4-(2,4-Dichlorophenoxy) phenol useful as a representative chlorinated diphenyl ether for environmental and analytical studies.
Its presence as a diclofop-methyl transformation product makes it particularly useful for studying pesticide degradation pathways.

Its relatively high hydrophobicity makes 4-(2,4-Dichlorophenoxy) phenol suitable for investigations involving organic-phase extraction, environmental partitioning, and adsorption to organic matter.
The availability of high-purity commercial material, including products specified at approximately 98% purity, facilitates analytical method development and reference-standard applications.

STRUCTURAL CHARACTERISTICS of 4-(2,4-DICHLOROPHENOXY) PHENOL:
4-(2,4-Dichlorophenoxy) phenol contains two benzene rings connected through an ether oxygen.
One aromatic ring carries chlorine substituents at the 2- and 4-positions, while the second aromatic ring contains a para-position phenolic hydroxyl group.
The phenolic OH group provides one hydrogen-bond donor and one hydrogen-bond acceptor, while the ether oxygen provides another hydrogen-bond acceptor.

The two chlorine atoms increase molecular mass, lipophilicity, and resistance to some degradation processes.
The combination of aromatic rings, chlorine substituents, and an ether linkage gives the molecule characteristics typical of chlorinated diphenyl ether compounds.

The structure is important when distinguishing 4-(2,4-Dichlorophenoxy) phenol from triclosan.
Triclosan contains an additional chlorine atom on the phenolic ring, whereas 4-(2,4-Dichlorophenoxy) phenol contains only the two chlorine atoms on the 2,4-dichlorophenoxy ring.
Therefore, these two substances should not be treated as interchangeable.

CHEMICAL CHARACTERISTICS of 4-(2,4-DICHLOROPHENOXY) PHENOL:
4-(2,4-Dichlorophenoxy) phenol is an aromatic phenol and chlorinated diaryl ether.
The phenolic hydroxyl group gives it weakly acidic phenolic behavior and allows hydrogen bonding.
The ether linkage is chemically important because 4-(2,4-Dichlorophenoxy) phenol connects the two aromatic systems while maintaining a relatively hydrophobic molecular framework.

The aromatic rings contribute to chemical stability and low volatility compared with small aliphatic compounds.
The chlorine substituents increase the molecular weight and hydrophobicity and can influence environmental persistence and transformation pathways.
Because of its low aqueous solubility and relatively high calculated logP, the compound has a greater tendency to partition into organic phases and organic-rich environmental matrices rather than remain freely dissolved in water.

ENVIRONMENTAL CHARACTERISTICS of 4-(2,4-DICHLOROPHENOXY) PHENOL:
4-(2,4-Dichlorophenoxy) phenol is particularly relevant to environmental chemistry because it has been identified as a transformation product of diclofop-methyl, a phenoxy herbicide.
Studies of diclofop-methyl degradation have identified 4-(2,4-Dichlorophenoxy) phenol as a metabolite produced during degradation of the parent herbicide.
In bacterial degradation studies, the compound was formed after transformation of diclofop-related intermediates.
Its low water solubility and hydrophobic character are important for understanding how 4-(2,4-Dichlorophenoxy) phenol partitions between water, soil, sediment, and organic matter.

ROLE of 4-(2,4-DICHLOROPHENOXY) PHENOL IN DICLOFOP-METHYL DEGRADATION:
One of the most significant characteristics of 4-(2,4-Dichlorophenoxy) phenol is its connection with diclofop-methyl degradation.
Diclofop-methyl undergoes transformation in environmental systems, and 4-(2,4-Dichlorophenoxy) phenol has been identified among its degradation products.
Research involving Sphingomonas paucimobilis reported transformation of diclofop-methyl through intermediate products, ultimately producing 4-(2,4-Dichlorophenoxy) phenol under the studied conditions.
This makes 4-(2,4-Dichlorophenoxy) phenol useful for monitoring pesticide degradation and evaluating the environmental fate of diclofop-related compounds.

RESEARCH AND ANALYTICAL IMPORTANCE of 4-(2,4-DICHLOROPHENOXY) PHENOL:
4-(2,4-Dichlorophenoxy) phenol can be used as an authentic reference material when developing analytical methods for environmental samples.
4-(2,4-Dichlorophenoxy) phenol is particularly relevant to HPLC, GC-MS, LC-MS, and related analytical workflows in which a known reference compound is required for retention-time, mass-spectral, calibration, or identification purposes.

Because different environmental transformation products can have similar structures, using an authentic reference standard helps distinguish 4-(2,4-Dichlorophenoxy) phenol from related chlorinated phenols and diphenyl ethers.
Its structural similarity to other chlorinated phenoxyphenols also makes 4-(2,4-Dichlorophenoxy) phenol useful in comparative structure–activity and environmental chemistry studies.

STABILITY AND REACTIVITY of 4-(2,4-DICHLOROPHENOXY) PHENOL:
4-(2,4-Dichlorophenoxy) phenol is an aromatic chlorinated ether phenol and is expected to be handled as a stable organic solid under recommended storage conditions.
Avoid unnecessary exposure to strong oxidizing agents and excessive heat.
The phenolic hydroxyl group can participate in acid–base and hydrogen-bonding interactions, while the aromatic ether structure contributes to the molecule's overall chemical stability.

PHYSICAL and CHEMICAL PROPERTIES of 4-(2,4-DICHLOROPHENOXY) PHENOL:
Chemical Name: 4-(2,4-Dichlorophenoxy)phenol
IUPAC/Systematic Name: 4-(2,4-dichlorophenoxy)phenol
CAS Number: 40843-73-0
EC Number: 255-106-1
EINECS Number: 255-106-1
PubChem CID: 94509
Molecular Formula: C12H8Cl2O2
Molecular Weight: 255.10 g/mol
Exact Molecular Mass: approximately 254.987 g/mol
Molecular Structure: a diphenyl ether framework containing a phenolic hydroxyl group and a 2,4-dichlorophenoxy substituent.

SMILES: Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChI: InChI=1S/C12H8Cl2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H
InChIKey: DPRSKCAGYLXDCY-UHFFFAOYSA-N
MDL Number: MFCD08446912
The compound is listed in chemical databases under CAS 40843-73-0 and EC 255-106-1. PubChem identifies it as CID 94509
Appearance: Solid.
Physical state at room temperature: Solid.
Color: Reported commercial material is generally supplied as a solid; a definitive standardized color specification is not consistently reported across databases.
Molecular formula: C12H8Cl2O2.

Molecular weight: 255.10 g/mol.
Melting point: approximately 88–95 °C has been reported for experimental material.
Some databases also provide calculated values, so the melting point should be regarded as dependent on purity and measurement conditions.
Boiling point: approximately 354 °C at 760 mmHg is reported in ChemicalBook supplier data; this value should be considered a reported/calculated physical constant rather than a universally established experimental value.
Flash point: approximately 167.9 °C has been reported.
Density: A reliable experimentally measured density was not consistently identified in the sources reviewed.
Water solubility: approximately 0.189 mg/L has been reported in environmental/QSAR datasets, indicating very low water solubility.

LogP: approximately 4.2 is reported as a computed XLogP3 value in secondary literature.
This indicates relatively high hydrophobicity.
Hydrogen-bond donor: 1, because of the phenolic OH group.
Hydrogen-bond acceptors: 2, corresponding to the phenoxy oxygen and phenolic oxygen.
Rotatable bonds: 2.
Topological polar surface area: approximately 29–30 Å² is consistent with its two oxygen atoms and phenolic functionality.
Formal charge: 0.
Heavy atoms: 16.
Molecular Weight: 255.09 g/mol
XLogP3: 4.2
Hydrogen Bond Donor Count: 1

Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 253.9901349 Da
Monoisotopic Mass: 253.9901349 Da
Topological Polar Surface Area: 29.5 Å²
Heavy Atom Count: 16
Formal Charge: 0
Complexity: 217
Isotope Atom Count: 0

Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Empirical Formula (Hill Notation): C12H8Cl2O2
CAS Number: 40843-73-0
Molecular Weight: 255.10
UNSPSC Code: 12352200

PubChem Substance ID: 329816150
EC Number: 255-106-1
MDL number: MFCD08446912
NACRES: NA.21
Physical state: solid
Color: No data available
Odor: No data available
Melting point/freezing point: Melting point/range: 190 - 200 °C
Initial boiling point and boiling range: 49 - 53 °C
Flammability (solid, gas): No data available

Upper/lower flammability or explosive limits: No data available
Flash point: No data available
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available
Viscosity: Viscosity, kinematic: No data available; Viscosity, dynamic: No data available
Water solubility: 0,016 g/l at 22 °C

Partition coefficient: n-octanol/water: No data available
Vapor pressure: No data available
Density: No data available; Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: none
Other safety information: No data available

FIRST AID MEASURES of 4-(2,4-DICHLOROPHENOXY) PHENOL:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of 4-(2,4-DICHLOROPHENOXY) PHENOL:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of 4-(2,4-DICHLOROPHENOXY) PHENOL:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of 4-(2,4-DICHLOROPHENOXY) PHENOL:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of 4-(2,4-DICHLOROPHENOXY) PHENOL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of 4-(2,4-DICHLOROPHENOXY) PHENOL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available

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