2,5-Dichlorophenol - analytical standard , CAS No.583-78-8

CAS: 583-78-8 Cat. No.: D106518 Molecular Weight: 163 Beilstein Registry Number: 1907692 EC Number: 209-520-4
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
AKOS000120929 | 2,5-Dichlorophenol, PESTANAL(R), analytical standard | Tox21_201889 | Z104480932 | 2,5-Dichlorophenol 10 microg/mL in Methanol | HSDB 4287 | Phenol, 2,5-dichloro- | BRN 1907692 | NSC6296 | NSC-6296 | W-105392 | NCGC00091138-02 | 2,5-Dichlo
Storage
Room temperature
Shipped In
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Size
Status
Price
Qty
250mg
D106518-250mg
3

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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AKOS000120929 | 2, 5-Dichlorophenol, PESTANAL(R), analytical standard | Tox21_201889 | Z104480932 | 2, 5-Dichlorophenol 10 microg/mL in Methanol | HSDB 4287 | Phenol, 2, 5-dichloro- | BRN 1907692 | NSC6296 | NSC-6296 | W-105392 | NCGC00091138-02 | 2, 5-Dichlo
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard
Names and Identifiers
Pubchem Sid504750344
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750344
Canonical SmilesC1=CC(=C(C=C1Cl)O)Cl
IUPAC Name2,5-dichlorophenol
InChIKeyRANCECPPZPIPNO-UHFFFAOYSA-N
INCHI1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
Isomeric SMILES C1=CC(=C(C=C1Cl)O)Cl
WGK Germany 2
RTECS SK8600000
UN Number 2020
Packing Group III
Molecular Weight 163
Beilstein 1907692
Reaxy-Rn 1907692
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907692&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents O-chlorophenols  M-chlorophenols  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Aryl chlorides  Organooxygen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1,4-dichlorobenzene - 3-halophenol - 2-halophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors dichlorophenol
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
A2417303Certificate of AnalysisOct 21, 2025 D106518
A2417304Certificate of AnalysisOct 21, 2025 D106518
G1205053Certificate of AnalysisApr 14, 2022 D106518
Chemical and Physical Properties
SolubilitySlightly soluble in water, soluble in benzene and petroleum ether, easily soluble in ethanol and ether.
Flash Point(°C)100°C
Boil Point(°C)211°C
Melt Point(°C)54-58°C
Molecular Weight163.000 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.964 Da
Monoisotopic Mass161.964 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Chun-Ying Xu, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2023)  Fabrication of magnetic Fe3O4 doped β-cyclodextrin microporous organic network for the efficient extraction of endocrine disrupting chemicals from food takeaway boxes.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38171066] [10.1016/j.chroma.2023.464625]
2. Jing Zhu, Hongwei Jiang, Wenwu Wang.  (2023)  Colorimetric sensor array for discriminating and determinating phenolic pollutants basing on different ratio of ligands in Cu/MOFs.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37647664] [10.1016/j.jhazmat.2023.132418]
3. Meixuan Wu, Yaning Zhang, Yuyan Yi, Baocheng Zhou, Pengfei Sun, Xiaoping Dong.  (2023)  Regulation of friction pair to promote conversion of mechanical energy to chemical energy on Bi2WO6 and realization of enhanced tribocatalytic activity to degrade different pollutants.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37515993] [10.1016/j.jhazmat.2023.132147]
4. Lixia Li, Qinkai Guo, Baohe Lv, Minxue Zheng, Wang Zhan, Yanhong Liu, Wanzhen Xu, Ruiwei Wang, Hongbo Zeng, Baodong Mao.  (2022)  Surface modified silver/magnetite nanocomposite activating hydrogen peroxide for efficient degradation of chlorophenols.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:35278862] [10.1016/j.jcis.2022.02.137]
5. Huanting Hu, Kangkang Miao, Xiaolin Luo, Sifan Guo, Xueqin Yuan, Fei Pei, Huaming Qian, Guodong Feng.  (2021)  Efficient Fenton-like treatment of high-concentration chlorophenol wastewater catalysed by Cu-Doped SBA-15 mesoporous silica.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2021.128632]
6. Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.  (2021)  Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction.  Nano Research,  15  (2): (1338-1346).  [PMID:] [10.1007/s12274-021-3662-y]
7. Hua Lei, Meixuan Wu, Fan Mo, Shilong Ji, Xiaoping Dong, Yanmin Jia, Feifei Wang, Zheng Wu.  (2021)  Efficiently harvesting the ultrasonic vibration energy of two-dimensional graphitic carbon nitride for piezocatalytic degradation of dichlorophenols.  Environmental Science-Nano,  (5): (1398-1407).  [PMID:] [10.1039/D0EN01028F]
8. Juan Zhang, Chen Yu, Zhipeng Chen, Xiaogang Luo, Haiyan Zhao, Fengshou Wu.  (2021)  Zeolitic imidazolate framework-8/ fluorinated graphene coated SiO2 composites for pipette tip solid-phase extraction of chlorophenols in environmental and food samples.  TALANTA,      [PMID:33773733] [10.1016/j.talanta.2021.122229]
9. Xing Lu, Guobao Zhou, Jian Zhang, Wei Xie, Yiwen Yang, Yanbo Zeng, Zulei Zhang, Hailong Wang, Lei Li.  (2020)  Highly Sensitive Determination of 2,4,6-Trichlorophenol by Using a Novel SiO2@MIPIL Fluorescence Sensor with a Double Recognition Functional Monomer.  ACS Sensors,      [PMID:32295340] [10.1021/acssensors.0c00368]
10. Baixiang Ren, Huan Qi, Xiuying Li, Lihui Liu, Lin Gao, Guangbo Che, Bo Hu, Liang Wang, Xue Lin.  (2018)  A novel fluorescent functional monomer as the recognition element in core–shell imprinted sensors responding to concentration of 2,4,6-trichlorophenol.  RSC Advances,  (11): (6083-6089).  [PMID:35539601] [10.1039/C7RA07742D]
11. Hongji Li, Zirun Wang, Xiaonan Wang, Jiaqi Jiang, Jiahong Zheng, Yongsheng Yan, Chunxiang Li.  (2017)  High-performance composite imprinted sensor based on the surface enhanced Raman scattering for selective detection of 2,6-dichlorophenol in water.  JOURNAL OF RAMAN SPECTROSCOPY,  49  (2): (222-229).  [PMID:] [10.1002/jrs.5269]
12. Yue Zhang, Zhiyong Li, Huiyong Wang, Xiaopeng Xuan, Jianji Wang.  (2016)  Efficient separation of phenolic compounds from model oil by the formation of choline derivative-based deep eutectic solvents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2016.03.014]
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