PCB No 101 solution - analytical standard, 10μg/g in isooctane/Toluene =49/1 , CAS No.37680-73-2

CAS: 37680-73-2 Cat. No.: P119842 分子式: C₁₂H₅Cl₅ 分子量: 326.43 Beilstein Registry Number: 2507418 EC番号: 621-393-0

GRADE & PURITY Analytical standard, 10μg/g in isooctane/Toluene =49/1

Synonyms

37680-73-2|2,2',4,5,5'-PENTACHLOROBIPHENYL|1,1'-Biphenyl, 2,2',4,5,5'-pentachloro-|PCB 101|2,4,5,2',5'-Pentachlorobiphenyl|UNII-803YVI5BNP|803YVI5BNP|1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene|2,2',4,5,5'-Pentachloro-1,1'-biphenyl|DTXSID8038304|CB 101;

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

37680-73-2 | 2,2',4,5,5'-PENTACHLOROBIPHENYL | 1,1'-Biphenyl, 2,2',4,5,5'-pentachloro- | PCB 101 | 2,4,5,2',5'-Pentachlorobiphenyl | UNII-803YVI5BNP | 803YVI5BNP | 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene | 2,2',4,5,5'-Pentachloro-1,1'-biphenyl | DTXSID8038304 | CB 101;

仕様と純度

analytical standard, 10μg/g in isooctane/Toluene =49/1

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

• カノニカル・スマイル: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
• InChIKey: LAHWLEDBADHJGA-UHFFFAOYSA-N
• INCHI: 1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
• 異性体SMILES: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
• WGKドイツ: 3
• UN番号: 3432
• 分子量: 326.43
• Beilstein: 2507418
• Reaxy-Rn: 2507418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2507418&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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 - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 326.400 g/mol
• XLogP3: 6.500
• 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

参考文献

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. 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,      [PMID:] [10.1016/j.snb.2022.131979]

3. Xiaowan Zhang, Lizhen Han, Mengyuan Li, Peige Qin, Dan Li, Qian Zhou, Minghua Lu, Zongwei Cai.  (2021)  Nitrogen-rich carbon nitride as solid-phase microextraction fiber coating for high-efficient pretreatment of polychlorinated biphenyls from environmental samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34749185] [10.1016/j.chroma.2021.462655]

4. Cuizhong Zhang, Peican Chen, Liya Zhou, Jinyun Peng.  (2021)  Photoelectrochemical detection for 3,3′,4,4′-tetrachlorobiphenyl in fish based on synergistic effects by Schottky junction and sensitization.  FOOD CHEMISTRY,      [PMID:34274703] [10.1016/j.foodchem.2021.130490]

よくある質問

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 37680-73-2, the molecular formula is C12H5Cl5, and the molecular weight is 326.43 g/mol. InChIKey LAHWLEDBADHJGA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.