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Hexachloroethane - Standard for GC, ≥99.5% (GC), high purity , CAS No.67-72-1
Basic Description
Synonyms
1,1,1,2,2,2-Hexachloroethane | 1,1,1,2,2,2-Hexachloro-ethane | InChI=1/C2Cl6/c3-1(4,5)2(6,7) | STL199166 | AKOS009158985 | Distopin | HEXACHLOROETHANE | 1,1,1,2,2,2-hexakis(chloranyl)ethane | EPA Pesticide Chemical Code 045201 | Ethane hexachloride | Falk
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Shipped In
Normal
Grade
Standard for GC
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organochlorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organochlorides
Alternative Parents
Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
External Descriptors
a small molecule
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1,1,1,2,2,2-hexachloroethane
INCHI
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
InChIKey
VHHHONWQHHHLTI-UHFFFAOYSA-N
Smiles
C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
Isomeric SMILES
C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
WGK Germany
3
RTECS
KI4025000
UN Number
2811
Packing Group
I
Molecular Weight
236.74
Beilstein
1740341
Reaxy-Rn
1740341
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740341&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
186°C
Melt Point(°C)
185°C
Molecular Weight
236.700 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
235.81 Da
Monoisotopic Mass
233.813 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
61.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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
1.
Changcheng Wei, Jinzhe Li, Zhongmin Liu.
(2023)
Selective Synthesis of Butadiene from γ-Valerolactone over ZSM-35 Zeolite. ACS Sustainable Chemistry & Engineering,
11
(38):
(14103–14111).
2.
Changcheng Wei, Wenna Zhang, Kuo Yang, Xiu Bai, Shutao Xu, Jinzhe Li, Zhongmin Liu.
(2023)
An efficient way to use CO2 as chemical feedstock by coupling with alkanes. CHINESE JOURNAL OF CATALYSIS,
47
(138).
3.
Yanqing Xue, Qitang Hao, Xinlei Li, Han Zhang, Peiqing Wang, Chengze Yin, Bo Li, Xinliang Wang.
(2022)
Acquiring Mg-Ag microalloying TiB2/Al-4.5Cu composite simultaneously with ultrahigh strength and ductility via optimized salt-metal reaction and multistage heat treatment. MATERIALS & DESIGN,
223
(111252).
4.
Yanqing Xue, Bo Li, Xinliang Wang, Xinlei Li, Han Zhang, Qitang Hao.
(2021)
Effect of Mg on the microstructure evolution and mechanical properties of 5%TiB2/Al−4.5%Cu composites. Materials Today Communications,
28
(102625).
5.
Na Liu, Qing Hu, Chao Wang, Lizhi Tong, Chih-Huang Weng, Longzhen Ding.
(2021)
Hexachloroethane dechlorination in sulfide-containing aqueous solutions catalyzed by nitrogen-doped carbon materials. ENVIRONMENTAL POLLUTION,
281
(116915).
6.
Siyang Tang, Zhen Liu, Xiaowei Yan, Ning Li, Ruihua Cheng, Xuelian He, Boping Liu.
(2014)
Kinetic studies on the pyrrole–Cr-based Chevron-Phillips ethylene trimerization catalyst system. APPLIED CATALYSIS A-GENERAL,
481
(39).
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6 Citations
F2513026