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

CAS: 2385-85-5 Cat. No.: M101201 분자식: C₁₀Cl₁₂ 분자량: 545.54 Beilstein Registry Number: 5605269 EC 번호: 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

동의어

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

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 528773080
• 정식 스마일: 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
• 이성체 SMILES: C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• WGK 독일: 1
• UN 번호: 2761
• 포장 그룹: I
• 분자량: 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
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): -17 °C
• 발화점(°C): -17°C
• 분자량: 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

참고 문헌

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]