α-Chlordane - analytical standard , CAS No.5103-71-9

CAS: 5103-71-9 Cat. No.: C114206 Fórmula: C₁₀H₆Cl₈ Peso molecular: 409.78 Beilstein Registry Number: 7079209 Número CE: 225-825-5

GRADE & PURITY Analytical standard

Synonyms

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

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

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

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: 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 Alemanha: 2
• Número UN: 2762(flammable solvent)2996
• Grupo de embalagem: I
• Peso molecular: 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
    • Classe Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): -18 °C
• Ponto de inflamação (°C): -18°C
• Peso molecular: 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

Referências

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]