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α-Endosulfan solution - analytical standard,100ug/ml,u=3% in benzene, high purity , CAS No.959-98-8
Basic Description
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
Specifications & Purity
analytical standard, 100ug/ml,u=3% 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.
Grade
analytical standard
Taxonomic Classification
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
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.
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)
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 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
Citations of This Product
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3 Citations
C2224319