Mirex - analytical standard , CAS No.2385-85-5

CAS: 2385-85-5 Cat. No.: M101201 Fórmula: C₁₀Cl₁₂ Peso molecular: 545.54 Beilstein Registry Number: 5605269 Número CE: 219-196-6

GRADE & PURITY Analytical standard

Synonyms

1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane | 1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro- | HRS l276 | Cyclopentadiene, dimer | EINECS 219-196-6 | Mirex 1000 microg/mL in Acetone | Perchloropentacyclode

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane | 1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro- | HRS l276 | Cyclopentadiene, dimer | EINECS 219-196-6 | Mirex 1000 microg/mL in Acetone | Perchloropentacyclode

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Nomes e identificadores

• Pubchem Sid: 528773080
• Sorrisos canónicos: C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane
• InChIKey: GVYLCNUFSHDAAW-UHFFFAOYSA-N
• INCHI: 1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18
• SMILES isoméricas: C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• WGK Alemanha: 1
• Número UN: 2761
• Grupo de embalagem: I
• Peso molecular: 545.54
• Beilstein: 5605269
• Reaxy-Rn: 2010845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2010845&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Monoterpenoids
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Norbornane monoterpenoid - Monoterpenoid - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
• External Descriptors: Organochlorine pesticides - Organochlorine insecticides

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): -17 °C
• Ponto de inflamação (°C): -17°C
• Peso molecular: 545.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 545.617 Da
• Monoisotopic Mass: 539.626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 567.000
• 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

Referências

1. Rong Huang, Zhong Dong, Wanyi Zhang, Zhenggang Xue, Dongmei Deng, Wei Wang, Yuanyuan Li, Haibo He, Liqiang Luo.  (2025)  Cu−N4 Active Site Sensing Platform for Point-of-Care Colorimetric Detection of Environmental Organophosphorus Pesticide.  ANALYTICA CHIMICA ACTA,      [PMID:41330687] [10.1016/j.aca.2025.344856]

2. 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]