α-Chlordane Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.5103-71-9

CAS: 5103-71-9 Cat. No.: C128219 分子式: C₁₀H₆Cl₈ 分子量: 409.78 Beilstein Registry Number: 7079209 EC番号: 225-825-5

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

cis-Chlordane|5103-71-9|(+)cis-chlordane|ALPHA-CHLORDANE|DTXSID6038326|cis-Chlordane 10 microg/mL in Cyclohexane|cis-Chlordane 100 microg/mL in Cyclohexane|S6H|BIDD:ER0129|DTXCID00820189|Tox21_303821|cis-Chlordane 20 microg/mL in Hexane|NCGC00357099-01|CA

Storage

Room temperature

Shipped In

Normal

概要

Pesticides Single Component Standards

Specifications

同義語

cis-Chlordane | 5103-71-9 | (+)cis-chlordane | ALPHA-CHLORDANE | DTXSID6038326 | cis-Chlordane 10 microg/mL in Cyclohexane | cis-Chlordane 100 microg/mL in Cyclohexane | S6H | BIDD:ER0129 | DTXCID00820189 | Tox21_303821 | cis-Chlordane 20 microg/mL in Hexane | NCGC00357099-01 | CA

仕様と純度

1000ug/ml in Purge and Trap Methanol

保管条件

Room temperature

入荷

Normal

名前と識別子

• パブケム・シド: 528776464
• カノニカル・スマイル: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: (1R,2S,3R,4S,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
• InChIKey: BIWJNBZANLAXMG-KMMBHOGFSA-N
• INCHI: 1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
• 異性体SMILES: C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• WGKドイツ: 2
• UN番号: 2762(flammable solvent)2996
• 包装グループ: I
• 分子量: 409.78
• Beilstein: 7079209
• Reaxy-Rn: 1915474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• 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

化学的性質と物理的性質

• 引火点（°F）: -18 °C
• 引火点（°C）: -18°C
• 分子量: 409.800 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 409.792 Da
• Monoisotopic Mass: 405.798 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 459.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao.  (2025)  The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:41240894] [10.1016/j.scitotenv.2025.180881]