GRADE & PURITY Analytical standard

Synonyms

HCE | cis-Heptachlor-exo-epoxide (isomer B) 1000 microg/mL in Toluene | cis-Heptachlor-exo-epoxide (isomer B) 10 microg/mL in Cyclohexane | 055UWF6R6I | CCRIS 9452 | EINECS 213-831-0 | AI3-25584 | ENT 25,584 | HSDB 6182 | Epoxyheptachlor | cis-Heptachlor-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HCE | cis-Heptachlor-exo-epoxide (isomer B) 1000 microg/mL in Toluene | cis-Heptachlor-exo-epoxide (isomer B) 10 microg/mL in Cyclohexane | 055UWF6R6I | CCRIS 9452 | EINECS 213-831-0 | AI3-25584 | ENT 25, 584 | HSDB 6182 | Epoxyheptachlor | cis-Heptachlor-

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: (1S,2R,3S,5S,6R,7S,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
• InChIKey: ZXFXBSWRVIQKOD-UOFFAGTMSA-N
• INCHI: 1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m0/s1
• Isómeros SMILES: [C@@H]12[C@@H]([C@H]([C@@H]3[C@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl
• WGK Alemania: 3
• RTECS: PB9450000
• Número ONU: 2761
• Grupo de embalaje: I
• Peso molecular: 389.32
• Reaxy-Rn: 1350913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1350913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Vinyl chlorides Oxacyclic compounds Epoxides Dialkyl ethers Chloroalkenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxane - Dialkyl ether - Oxirane - Ether - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Oxacycle - Organooxygen compound - Organic oxygen compound - Alkyl chloride - Alkyl halide - Organohalogen compound - Organochloride - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 389.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 387.813 Da
• Monoisotopic Mass: 385.816 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 504.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

Referencias

1. Xiaohuan Zang, Qingyun Chang, Hongda Li, Xiaoxian Zhao, Shuaihua Zhang, Chun Wang, Zhi Wang.  (2022)  Construction of a ringent multi-shelled hollow MIL-88B as the solid-phase microextraction fiber coating for the extraction of organochlorine pesticides.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122350]

2. Liping Qiu, Hu Wang, Xuntao Wang.  (2018)  Conversion mechanism of heptachlor by a novel bacterial strain.  RSC Advances,  8  (11): (5828-5839).  [PMID:35539625] [10.1039/C7RA10097C]

3. Yuxin Liu, Chenjie Ma, Mantang Chen, Jufang Hao, Wei Liu, Jingjing Yu.  (2025)  Hydrophobic deep eutectic solvent-based ferrofluid for the multi-residue analysis of pyrethroid insecticides in agricultural products: Facile pretreatment and MS-friendly detection.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40773813] [10.1016/j.chroma.2025.466262]

4. Meng-Lei Xu, Songning Zhao, Wenshuo Ren, Mengmeng Zhang, Xiao Xia Han, Liang Su, Chengcong Chen, Yunfei Xie, Yu Gao.  (2025)  Photocatalytic degradation of the pesticide pyridaben: Identification of degradation pathways using SERS and GC–MS.  FOOD RESEARCH INTERNATIONAL,      [PMID:39967184] [10.1016/j.foodres.2025.115738]

5. 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]

6. Chuanjie Tang, Lixue Ren, Yixuan Wang, Wanjun Long, Shuo Wang, Luyu Wei, Wei Lan, Hengye Chen, Haiyan Fu, Yuanbin She.  (2025)  Detection and safety evaluation of pesticide residues in representative floral and foliage foods: Hangbaiju and green tea.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116414]

7. Jingjing Yu, Yuxin Liu, Cong Wang, Mantang Chen, Cong Nie, Wei Liu.  (2026)  Deep eutectic solvent-Ferrofluid based single-step magnetic-assisted liquid-liquid microextraction for Pyrethroid residues determination in vegetable oils by GC–MS/MS.  Food Chemistry-X,      [PMID:41640979] [10.1016/j.fochx.2026.103576]