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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-24 09:23:35 UTC

Update Date

2023-02-21 17:17:03 UTC

HMDB ID

HMDB0004811

Secondary Accession Numbers

HMDB04811

Metabolite Identification

Common Name

2,4-Dichlorophenol

Description

2,4-Dichlorophenol belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it. 2,4-Dichlorophenol exists in all living species, ranging from bacteria to plants to humans. 2,4-Dichlorophenol has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 2,4-dichlorophenol a potential biomarker for the consumption of these foods. 2,4-Dichlorophenol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. 2,4-Dichlorophenol is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Based on a literature review a significant number of articles have been published on 2,4-Dichlorophenol.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2,4-Dichlorophenol potassium	MeSH
2,4-Dichlorophenol, 14C-labeled CPD	MeSH
2,4-Dichlorophenol sodium	MeSH
4,6-Dichlorophenol	MeSH
24-Dichlorophenol	ChEMBL, HMDB
1,3-dichloro-4-Hydroxybenzene	HMDB
2,4-dichloro-Phenol	HMDB
2,4-Dichlorophenate	HMDB
2,4-Dichlorophenic acid	HMDB

Chemical Formula

C₆H₄Cl₂O

Average Molecular Weight

163.001

Monoisotopic Molecular Weight

161.963920164

IUPAC Name

2,4-dichlorophenol

Traditional Name

2,4-dichlorophenol

CAS Registry Number

120-83-2

SMILES

OC1=CC=C(Cl)C=C1Cl

InChI Identifier

InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChI Key

HFZWRUODUSTPEG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Halobenzenes

Direct Parent

Dichlorobenzenes

Alternative Parents

Substituents

4-chlorophenol
2-chlorophenol
2-halophenol
4-halophenol
1,3-dichlorobenzene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aryl halide
Aryl chloride
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organochloride
Organohalogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

dichlorophenol (CHEBI:16738 )
a chloroaromatic compound (24-DICHLOROPHENOL )

Ontology

Physiological effect

Health effect

Observation

Lethargy (HMDB: HMDB0004811)
Convulsion (HMDB: HMDB0004811)

Nervous system disorder

Central nervous system disorder

Psychiatric disorder

Mood disorder

Major depressive disorder (HMDB: HMDB0004811)

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0004811)

Cellular substructure

Membrane (HMDB: HMDB0004811)
Cell membrane (HMDB: HMDB0004811)

Excreta

Biofluid or Excreta

Urine (PMID: 12031833)

Route of exposure

Parenteral

Dermal (HMDB: HMDB0004811)

Enteral

Ingestion (HMDB: HMDB0004811)

Source

Endogenous

Endogenous (HMDB: HMDB0004811)

Exogenous

Synthetic

Synthetic (HMDB: HMDB0004811)

Environmental

Sludge (HMDB: HMDB0004811)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Environmental role

Air pollutant (HMDB: HMDB0004811)

Industrial application

Pharmaceutical industry

Biomarker

2,4-Dichlorophenol Exposure (MarkerDB: MDB00029789)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	4.5 mg/mL at 20 °C	Not Available
LogP	3.06	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.49 g/L	ALOGPS
logP	3.14	ALOGPS
logP	2.88	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	7.44	ChemAxon
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	37.65 m³·mol⁻¹	ChemAxon
Polarizability	14.18 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	129.16	30932474
DeepCCS	[M-H]-	126.597	30932474
DeepCCS	[M-2H]-	162.964	30932474
DeepCCS	[M+Na]+	138.0	30932474
AllCCS	[M+H]+	129.9	32859911
AllCCS	[M+H-H2O]+	125.3	32859911
AllCCS	[M+NH4]+	134.1	32859911
AllCCS	[M+Na]+	135.4	32859911
AllCCS	[M-H]-	121.5	32859911
AllCCS	[M+Na-2H]-	123.5	32859911
AllCCS	[M+HCOO]-	125.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2,4-Dichlorophenol	OC1=CC=C(Cl)C=C1Cl	2169.5	Standard polar	33892256
2,4-Dichlorophenol	OC1=CC=C(Cl)C=C1Cl	1170.5	Standard non polar	33892256
2,4-Dichlorophenol	OC1=CC=C(Cl)C=C1Cl	1177.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2,4-Dichlorophenol,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(Cl)C=C1Cl	1381.5	Semi standard non polar	33892256
2,4-Dichlorophenol,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(Cl)C=C1Cl	1619.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - 2,4-Dichlorophenol EI-B (Non-derivatized)	splash10-03di-9600000000-4fa477756aa23b7adcc6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 2,4-Dichlorophenol EI-B (Non-derivatized)	splash10-03di-9600000000-4fa477756aa23b7adcc6	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,4-Dichlorophenol GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-2900000000-381e6453036090021608	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,4-Dichlorophenol GC-MS (1 TMS) - 70eV, Positive	splash10-00di-9740000000-cebcdb789d84c6207e03	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,4-Dichlorophenol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,4-Dichlorophenol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-03di-7900000000-cb2b5b10e5e1f6220386	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-03di-0900000000-f54ce3be94c6da8704e5	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-004i-9500000000-d8e24612e2f3f051febf	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-004i-9000000000-95735b217c7349767bf6	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol EI-B (VARIAN MAT-44) , Positive-QTOF	splash10-03di-9600000000-4fa477756aa23b7adcc6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol LC-ESI-QFT , negative-QTOF	splash10-03di-0900000000-94ffb74b937db7fcfcaa	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 15V, Positive-QTOF	splash10-001i-9300000000-ee63363c23d6239dcef6	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 60V, Negative-QTOF	splash10-0229-0900000000-4d6568956b7f0b03bf64	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 30V, Positive-QTOF	splash10-001i-9200000000-06071826a250ba526614	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 45V, Positive-QTOF	splash10-001i-9100000000-7d698141859118d00773	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 10V, Positive-QTOF	splash10-001i-9500000000-e35d2e99fffd2ed1cb3b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 20V, Positive-QTOF	splash10-001i-9100000000-62d63d30b88cc774b378	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 75V, Positive-QTOF	splash10-001i-9100000000-728df1b61fb336defed0	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 90V, Positive-QTOF	splash10-001i-9100000000-a07532c1fc37fb84219b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 15V, Negative-QTOF	splash10-03di-0900000000-f970dd58417ca36c4e38	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 30V, Negative-QTOF	splash10-03di-0900000000-748a1d95a636ff7b4bf8	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 75V, Negative-QTOF	splash10-00di-2900000000-95fe1a59f9c6add13029	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 90V, Negative-QTOF	splash10-00dr-8900000000-c1b5887150f618215887	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 20V, Negative-QTOF	splash10-03ki-5900000000-fd43e6e802b61b3b3440	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,4-Dichlorophenol 40V, Negative-QTOF	splash10-001r-9000000000-5f091b1cd46578f4f17d	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,4-Dichlorophenol 10V, Positive-QTOF	splash10-03di-0900000000-3ca52610ea3d01148575	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,4-Dichlorophenol 20V, Positive-QTOF	splash10-03di-0900000000-50870879fea8dd32af55	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,4-Dichlorophenol 40V, Positive-QTOF	splash10-01q9-0900000000-74b84ace3e15b790e691	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,4-Dichlorophenol 10V, Negative-QTOF	splash10-03di-0900000000-ed1f169a0b551f0c1b32	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,4-Dichlorophenol 20V, Negative-QTOF	splash10-03di-0900000000-ed1f169a0b551f0c1b32	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,4-Dichlorophenol 40V, Negative-QTOF	splash10-03di-3900000000-6781704e02cfe0c0c2eb	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Membrane (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Detected and Quantified	0.00151(0.00128-0.00299) umol/mmol creatinine	Not Available	Both	Normal	Report on Human B...	details
Urine	Detected and Quantified	0.00212(0.00124-0.00401) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Report on Human B...	details
Urine	Detected and Quantified	0.0008 (0.0007-0.00088) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	12031833	details
Urine	Detected and Quantified	0.000465 (0.000430-0.000506) umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	12031833 Report on Human B... National Health a...	details
Urine	Detected and Quantified	0.000714 (0.000520-0.00101) umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	12031833 Report on Human B... National Health a...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023422

KNApSAcK ID

Not Available

Chemspider ID

8140

KEGG Compound ID

C02625

BioCyc ID

24-DICHLOROPHENOL

BiGG ID

Not Available

Wikipedia Link

2,4-Dichlorophenol

METLIN ID

7075

PubChem Compound

8449

PDB ID

Not Available

ChEBI ID

16738

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00029789

Good Scents ID

Not Available

References

Synthesis Reference

Ziegler, Erich; Simmler, Inge. Acid condensation of 2,4-dichlorophenol with trioxymethylene. Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen (1941), 74B 1871-9.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Crespin MA, Gallego M, Valcarcel M: Solid-phase extraction method for the determination of free and conjugated phenol compounds in human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Jun 25;773(2):89-96. [PubMed:12031833 ]
Ye X, Kuklenyik Z, Needham LL, Calafat AM: Measuring environmental phenols and chlorinated organic chemicals in breast milk using automated on-line column-switching-high performance liquid chromatography-isotope dilution tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2006 Feb 2;831(1-2):110-5. Epub 2005 Dec 27. [PubMed:16377264 ]

Showing metabocard for 2,4-Dichlorophenol (HMDB0004811)

MOL for HMDB0004811 (2,4-Dichlorophenol)

3D MOL for HMDB0004811 (2,4-Dichlorophenol)

3D SDF for HMDB0004811 (2,4-Dichlorophenol)

3D-SDF for HMDB0004811 (2,4-Dichlorophenol)

PDB for HMDB0004811 (2,4-Dichlorophenol)

3D PDB for HMDB0004811 (2,4-Dichlorophenol)

SMILES for HMDB0004811 (2,4-Dichlorophenol)

INCHI for HMDB0004811 (2,4-Dichlorophenol)

Structure for HMDB0004811 (2,4-Dichlorophenol)

3D Structure for HMDB0004811 (2,4-Dichlorophenol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra