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Endosulfan alcohol - analytical standard, high purity , CAS No.2157-19-9
Basic Description
Synonyms
5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro- | 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol | Thiodandiol | 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dimethanol | NSC11682 | NSC-11682 | [1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bi
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Vinyl halides
Subclass
Vinyl chlorides
Intermediate Tree Nodes
Not available
Direct Parent
Vinyl chlorides
Alternative Parents
Chloroalkenes Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Chloroalkene - Haloalkene - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
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
[1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
INCHI
InChI=1S/C9H8Cl6O2/c10-5-6(11)8(13)4(2-17)3(1-16)7(5,12)9(8,14)15/h3-4,16-17H,1-2H2
InChIKey
GTSJHTSVFKEASK-UHFFFAOYSA-N
Smiles
C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O
Isomeric SMILES
C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O
WGK Germany
2
RTECS
DT5300000
UN Number
3077
Molecular Weight
360.88
Beilstein
2057348
Reaxy-Rn
2057347
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057347&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
>100 °C
Flash Point(°C)
>100°C
Molecular Weight
360.900 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
359.863 Da
Monoisotopic Mass
357.866 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
363.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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B1418021