α-Endosulfan solution - analytical standard, 100ug/ml,u=3% in benzene , CAS No.959-98-8

CAS: 959-98-8 Cat. No.: E114210 Summenformel: C₉H₆Cl₆O₃S Molekulargewicht: 406.93 Beilstein Registry Number: 2950316 EG-Nummer: 625-034-9

QUALITÄT & REINHEIT Analytical standard, 100ug/ml,u=3% in benzene

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

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

analytical standard, 100ug/ml,u=3% in benzene

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528768643

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528768643

Kanonisches Lächeln

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?

Isomere SMILES

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

WGK Deutschland

2

UN-Nummer

2761

Verpackungsgruppe

I

Molekulargewicht

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=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Flammpunkt (°F): -14.8 °F
• Flammpunkt (°C): -26 °C
• Molekulargewicht: 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