Basic Description

Synonyms	Endosulfan I \| BETA-ENDOSULFAN \| 959-98-8 \| ALPHA-ENDOSULFAN \| 33213-65-9 \| Endosulfan II \| Endosulfan 2 \| .beta.-Endosulfan \| Endosulfan A \| Endosulfan B \| alpha-Endosulfan [ISO] \| Endosulfan 1 \| QY5Y9R7G0E \| TT768EVS2A \| alpha-Benzoepin \| DTXSID9037539 \| .alpha.-Endosulfan \| General Wee
Specifications & Purity	10ug/ml,u=5%,in benzene
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organic oxoanionic compounds
    - Subclass Organic sulfites

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organic oxoanionic compounds
Subclass	Organic sulfites
Intermediate Tree Nodes	Not available
Direct Parent	Sulfite esters
Alternative Parents	Vinyl chlorides Oxacyclic compounds Chloroalkenes Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Sulfite ester - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as sulfite esters. These are organic compounds containing an organic group attached to the sulfite oxoanion, with the formula R[SO3]2-.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	(1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
INCHI	InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?
InChIKey	RDYMFSUJUZBWLH-AZVNHNRSSA-N
Smiles	C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Isomeric SMILES	C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
WGK Germany	2
UN Number	2761
Packing Group	I
Molecular Weight	406.93
Beilstein	2950316
Reaxy-Rn	1262315
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1262315&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
G1501068	Certificate of Analysis	Jan 18, 2023	E114211

Chemical and Physical Properties

Sensitivity	light sensitive
Flash Point(°F)	-14.8 °F
Flash Point(°C)	-26 °C
Molecular Weight	406.900 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	405.814 Da
Monoisotopic Mass	403.817 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	470.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiaomu Qiao, Tianhao Zhou, Jing Zhang, Lixin Zhang, Yaobin Lu, Jia Huang. (2023) Functional validation of A2′N mutation of the RDL GABA receptor against fipronil via molecular modeling and genome engineering in drosophila. PEST MANAGEMENT SCIENCE,
2. Xiumin Yang, Junmin Wang, Guifen Chang, Cuihong Sun, Qiuhua Wu, Zhi Wang. (2024) Post-synthetic modification of covalent organic framework for efficient adsorption of organochlorine pesticides from cattle's milk. FOOD CHEMISTRY, 439 (138182).
3. Xiaohuan Zang, Qingyun Chang, Hongda Li, Xiaoxian Zhao, Shuaihua Zhang, Chun Wang, Zhi Wang. (2023) 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, 304 (122350).

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α-Endosulfan solution - 10ug/ml,u=5%,in benzene, high purity , CAS No.959-98-8