1000ug/ml in Methanol for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Pesticides Single Component Standards
| Canonical Smiles | 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 |
| Isomeric 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 Germany | 3 |
| RTECS | PB9450000 |
| UN Number | 2761 |
| Packing Group | I |
| Molecular Weight | 389.32 |
| Reaxy-Rn | 1350913 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1350913&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | 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 |
| Description | 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 |
| Molecular Weight | 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 |
| 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. 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] |
| 4. 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] |
| 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] |
