β-Endosulfan solution - analytical standard, 100ug/ml in hexane , CAS No.33213-65-9

CAS: 33213-65-9 Cat. No.: E114217 분자식: C₉H₆Cl₆O₃S 분자량: 406.93 Beilstein Registry Number: 2950317 EC 번호: 625-635-6

GRADE & PURITY Analytical standard, 100ug/ml in hexane

Synonyms

BETA-ENDOSULFAN | Endosulfan I, vial of 1 g, (alpha isomer), 99%, analytical standard | n'-hydroxypyridine-3-carboxamidine | CCRIS 1461 | Endosulfan B | BIDD:PXR0005 | Endosulfan 2 | NCGC00255451-01 | SRNDYVBEUZSFEZ-RMKNXTFCSA-N | ALPHA-ENDOSULFAN | b-End

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

BETA-ENDOSULFAN | Endosulfan I, vial of 1 g, (alpha isomer), 99%, analytical standard | n'-hydroxypyridine-3-carboxamidine | CCRIS 1461 | Endosulfan B | BIDD:PXR0005 | Endosulfan 2 | NCGC00255451-01 | SRNDYVBEUZSFEZ-RMKNXTFCSA-N | ALPHA-ENDOSULFAN | b-End

사양 및 순도

analytical standard, 100ug/ml in hexane

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 528768866
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528768866
• 정식 스마일: C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• 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
• InChIKey: RDYMFSUJUZBWLH-AZVNHNRSSA-N
• 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?
• 이성체 SMILES: C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• WGK 독일: 3
• RTECS: RB9875200
• UN 번호: 2761
• 포장 그룹: I
• 분자량: 406.93
• Beilstein: 2950317
• Reaxy-Rn: 1262315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1262315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organic oxoanionic compounds
      • Subclass Organic sulfites

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

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

화학 및 물리적 특성

• 분자량: 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 Ų
• 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

참고 문헌

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. Lingling Pan, Manman Qin, Leting Wang, Lu Huang, Huiyu Xing, Ning Wang, Tongtong Yang, Liyun Hu, Rui Su, Huanwen Chen.  (2025)  Production process defects of MiXi beverage detected by neutral desorption extractive electrospray ionization mass spectrometry.  ANALYST,      [PMID:40512116] [10.1039/D5AN00299K]

3. 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]