GRADE & PURITY Analytical standard, 500 mg/kg in transformer oil

Synonyms

AROCLOR 1254|2,2',3,3',4-pentachlorobiphenyl|52663-62-4|11097-69-1|2,2',3,3',4-Pentachloro-1,1'-biphenyl|PCB 82|1,2,3-trichloro-4-(2,3-dichlorophenyl)benzene|UNII-88Z0CKE07W|1,1'-Biphenyl, 2,2',3,3',4-pentachloro-|88Z0CKE07W|2,3,4,2',3'-Pentachlorobipheny

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Specifications

Synonyms

AROCLOR 1254 | 2, 2', 3, 3', 4-pentachlorobiphenyl | 52663-62-4 | 11097-69-1 | 2, 2', 3, 3', 4-Pentachloro-1, 1'-biphenyl | PCB 82 | 1, 2, 3-trichloro-4-(2, 3-dichlorophenyl)benzene | UNII-88Z0CKE07W | 1, 1'-Biphenyl, 2, 2', 3, 3', 4-pentachloro- | 88Z0CKE07W | 2, 3, 4, 2', 3'-Pentachlorobipheny

Specifications & Purity

analytical standard, 500 mg/kg in transformer oil

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

• Canonical Smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl
• IUPAC Name: 1,2,3-trichloro-4-(2,3-dichlorophenyl)benzene
• InChIKey: AUGNBQPSMWGAJE-UHFFFAOYSA-N
• INCHI: 1S/C12H5Cl5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5H
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl
• WGK Germany: 2
• UN Number: 2315(liquid)3432(solid)
• Packing Group: II
• Molecular Weight: 326.4
• Reaxy-Rn: 7094838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7094838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Dichlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 326.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.88 Da
• Monoisotopic Mass: 323.883 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Wenchao Jia, Xiangying Jin, Yuhua Wu, Danping Xie, Wenhua Yin, Bo Zhao, Zhonghui Huang, Lijun Liu, Yanyan Yang, Tonghui Cao, Xidan Feng, Sheng Chang.  (2022)  Amplification of fluorescence polarization signal based on specific recognition of aptamers combined with quantum quenching effect for ultrasensitive and simple detection of PCB-77.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:35550993] [10.1016/j.saa.2022.121341]

2. Jun Wang, Xuan Li, Peng Li, Lianxu Li, Lingchao Zhao, Shaoguo Ru, Dahai Zhang.  (2022)  Porous microplastics enhance polychlorinated biphenyls-induced thyroid disruption in juvenile Japanese flounder (Paralichthys olivaceus).  MARINE POLLUTION BULLETIN,      [PMID:34990936] [10.1016/j.marpolbul.2021.113289]

3. Xiangli Zheng, Hongli Li, Fangquan Xia, Dong Tian, Xiaoxia Hua, Xueying Qiao, Changli Zhou.  (2016)  An Electrochemical Sensor for Ultrasensitive Determination the Polychlorinated Biphenyls.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2016.02.115]

4. Ruonan Wang, Baoshan He, Zhengyong Liang, Yao Liu, Jun Yang, Huali Jin, Min Wei, Wenjie Ren, Zhiguang Suo, Yiwei Xu.  (2025)  A dual-mode sensor for rapid detection of procymidone: “Dark box” qualitative analysis and electrochemical quantification mediated by PdHPCN-222/PEI-rGO and CRISPR/Cas12a.  FOOD CHEMISTRY,      [PMID:40347811] [10.1016/j.foodchem.2025.144586]