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3,3',4,4'-Tetrachlorobiphenyl - 100 ug/mL in Isooctane, high purity , CAS No.32598-13-3(Isooctane)

    Grade & Purity:
  • 100 ug/mL in Isooctane
In stock
Item Number
P128471
Grouped product items
SKU Size
Availability
Price Qty
P128471-2ml
2ml
1
$525.90

Basic Description

Synonyms 3,3',4,4'-Tetrachlorobiphenyl | 32598-13-3 | PCB 77 | 3,3',4,4'-Tetrachloro-1,1'-biphenyl | 3,4,3',4'-TETRACHLOROBIPHENYL | Biphenyl, 3,3',4,4'-tetrachloro- | PCB No 77 | 1,1'-Biphenyl, 3,3',4,4'-tetrachloro- | 4-CB | HSDB 3949 | 1,2-dichloro-4-(3,4-dichlorophenyl)benzene | UN
Specifications & Purity 100 ug/mL in Isooctane
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

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 Non-ortho (coplanar) PCBs

Associated Targets(Human)

AHR Tclin Aryl hydrocarbon receptor (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1,2-dichloro-4-(3,4-dichlorophenyl)benzene
INCHI InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
InChIKey UQMGJOKDKOLIDP-UHFFFAOYSA-N
Smiles C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
Isomeric SMILES C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
Molecular Weight 291.99
Beilstein 2051251
Reaxy-Rn 2051251
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051251&ln=

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.

2 results found

Lot Number Certificate Type Date Item
B2311976 Certificate of Analysis Sep 01, 2022 P128471
D1827015 Certificate of Analysis Feb 16, 2022 P128471

Chemical and Physical Properties

Flash Point(°C) >100°C
Molecular Weight 292.000 g/mol
XLogP3 6.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 291.919 Da
Monoisotopic Mass 289.922 Da
Topological Polar Surface Area 0.000 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 209.000
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

Citations of This Product

1. Xiaoying Feng, Yixin Kuang, Suxin Zhou, Juan Zheng, Gangfeng Ouyang.  (2023)  New insights into the effects of isomeric chlorine substitution on microstructures and enrichment capacities of functionalized polystyrene nanospheres.  CHEMICAL ENGINEERING JOURNAL,  476  (146887). 
2. Chunmiao Kong, Ting Pan, Xikun Chen, Muhammad Junaid, Hongping Liao, Dandan Gao, Qiuping Wang, Wanjing Liu, Xu Wang, Jun Wang.  (2023)  Exposure to polystyrene nanoplastics and PCB77 induced oxidative stress, histopathological damage and intestinal microbiota disruption in white hard clam Meretrix lyrata.  SCIENCE OF THE TOTAL ENVIRONMENT,  905  (167125). 
3. Jun Zhang, Xujiao Xie, Qing Li, Ji Wang, Shuai Zhang.  (2023)  Combined toxic effects of TiO2 nanoparticles and organochlorines on Chlorella pyrenoidosa in karst area natural waters.  AQUATIC TOXICOLOGY,  257  (106442). 
4. Jingyi Zhao, Ai Zhang, Yinyin Zhang, Paul Héroux, Luxiang Zhu, Xiang Li, Pan Li, Yanan Liu.  (2023)  Remediation of polychlorinated biphenyls (PCBs) polluted soil using dielectric barrier discharge (DBD) plasma: Reactive nitrogen species (RNS) and produced dioxins.  CHEMICAL ENGINEERING JOURNAL,  459  (141632). 
5. Cuizhong Zhang, Hongjie Liu, Wanting Nong, Jinyun Peng, Liwei Wang, Liya Zhou.  (2022)  A photoelectrochemical aptasensor based on promising Z‑scheme for monitoring 3,3′,4,4′-tetrachlorobiphenyl in coral reef fish.  SENSORS AND ACTUATORS B-CHEMICAL,  366  (131979). 
6. Yizheng Li, Shulin Liu, Qiuping Wang, Yanling Zhang, Xikun Chen, Lei Yan, Muhammad Junaid, Jun Wang.  (2022)  Polystyrene nanoplastics aggravated ecotoxicological effects of polychlorinated biphenyls in on zebrafish (Danio rerio) embryos.  Geoscience Frontiers,  13  (101376). 
7. Luyi Chen, Junlong Huang, Yueru Shi, Xiaoru Peng, Yixin Kuang, Suxin Zhou, Juan Zheng, Xin Yang, Gangfeng Ouyang.  (2022)  Polystyrene-based nanospheres with controllable microstructures for exceptional solid phase microextraction of organic pollutants.  CHEMICAL ENGINEERING JOURNAL,  428  (132527). 
8. Wei Guo, Yao Qin, Cheng Liu, Binbin Guo, Junhua Zou, Zenghong Xie, Ling Wu.  (2021)  Unveiling the intermediates/pathways towards photocatalytic dechlorination of 3,3′,4,4′-trtrachlorobiphenyl over Pd /TiO2(B) nanosheets.  APPLIED CATALYSIS B-ENVIRONMENTAL,  298  (120526). 
9. Cuizhong Zhang, Peican Chen, Liya Zhou, Jinyun Peng.  (2022)  Photoelectrochemical detection for 3,3′,4,4′-tetrachlorobiphenyl in fish based on synergistic effects by Schottky junction and sensitization.  FOOD CHEMISTRY,  366  (130490). 
10. Tao Xu, Teng Liu, Dawei Jiang, Ziyue Yuan, Xiaoqiang Jia.  (2021)  Attainment and characterization of a microbial consortium that efficiently degrades biphenyl and related substances.  BIOCHEMICAL ENGINEERING JOURNAL,  173  (108073). 
11. Lin Yuan, Qiang Fu, Maojuan Zhou, Yunqian Ma, Lihua Zang, Yingjian Qin, Dandan Ji, Fengshan Zhang.  (2021)  Highly sensitive and selective detection of PCB 77 using an aptamer-catalytic hairpin assembly in an aquatic environment.  RSC Advances,  11  (10): (5506-5511). 
12. Hangjun Zhang, Xiaojun Jiang, Liping Lu, Wenfeng Xiao.  (2015)  Biodegradation of polychlorinated biphenyls (PCBs) by the novel identified cyanobacterium Anabaena PD-1.  PLoS One,  10  (7): (e0131450). 
13. Dandan Li,Jun Zhu,Man Wang,Wentao Bi,Xiaohua Huang,David Da Yong Chen.  (2017-03-03)  Extraction of trace polychlorinated biphenyls in environmental waters by well-dispersed velvet-like magnetic carbon nitride nanocomposites..  Journal of chromatography. A,  1491  (27-35). 
14. Jinran Chen, Xiurui Ke, Zhou Zhou, Wenqi Ye, Hong Liu, Wei Zhang, Xiaohong Liu.  (2025)  An Ag-nanoplate decorated cavity-nanorod array SERS substrate for trace detection of PCB-77.  Analytical Methods,     

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