β-Endosulfan - analytical standard , CAS No.33213-65-9

CAS: 33213-65-9 Cat. No.: E114216 Fórmula: C₉H₆Cl₆O₃S Peso molecular: 406.93 Beilstein Registry Number: 2950317 Número EC: 625-635-6

CALIDAD & PUREZA Analytical standard

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

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

β-Endosulfan is a polychlorinated compound, which is widely used as an insecticide for agricultural purposes.

Application：

β-Endosulfan may be used as an analytical pesticide reference standard for the determination of the analyte in water samples, virgin olive oil,aged contaminated Ethiopian soils and human fluids by various chromatography techniques.

Especificaciones

Sinónimos

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

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Protected from light,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

Pubchem Sid

528768864

Sonrisas canónicas

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?

Isómeros SMILES

C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

WGK Alemania

3

RTECS

RB9875200

Número ONU

2761

Grupo de embalaje

I

Peso molecular

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
    • Clase Organic oxoanionic compounds
      • Subclass Organic sulfites

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive，Moisture sensitive.
• Peso molecular: 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