Hexachloroethane - CP , CAS No.67-72-1

CAS: 67-72-1 Cat. No.: H110388 分子式: C₂Cl₆ 分子量: 236.74 Beilstein Registry Number: 1740341 EC番号: 200-666-4

GRADE & PURITY CP

Synonyms

HEXACHLOROETHANE|67-72-1|Perchloroethane|Ethane, hexachloro-|1,1,1,2,2,2-Hexachloroethane|Avlothane|Carbon hexachloride|Hexachlorethane|Mottenhexe|Distokal|Distopan|Distopin|Falkitol|Phenohep|Egitol|Ethylene hexachloride|Hexachloroethylene|Ethane hexachlo

Storage

Room temperature

Shipped In

FedEx DG Service

概要

 Effect of hydrogen peroxide concentrations on the degradation of hexachloroethane in the absence and the presence of tetrachloroethene by Fenton′s reagent has been investigated.

Hexachloroethane was used as catalyst in preparation of chlorosilanes from hydrosilanes. It was used to investigate the transformation of hexachloroethane in natural waters. It was used as reagent during polycondensation reaction of p-aminobenzoic acid.

Specifications

同義語

HEXACHLOROETHANE | 67-72-1 | Perchloroethane | Ethane, hexachloro- | 1,1,1,2,2,2-Hexachloroethane | Avlothane | Carbon hexachloride | Hexachlorethane | Mottenhexe | Distokal | Distopan | Distopin | Falkitol | Phenohep | Egitol | Ethylene hexachloride | Hexachloroethylene | Ethane hexachlo

仕様と純度

CP

保管条件

Room temperature

入荷

FedEx DG Service

等級

CP

名前と識別子

• パブケム・シド: 508812484
• カノニカル・スマイル: C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
• IUPAC Name: 1,1,1,2,2,2-hexachloroethane
• InChIKey: VHHHONWQHHHLTI-UHFFFAOYSA-N
• INCHI: 1S/C2Cl6/c3-1(4,5)2(6,7)8
• 異性体SMILES: C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
• WGKドイツ: 3
• RTECS: KI4025000
• UN番号: 2811
• 包装グループ: I
• 分子量: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water.
• 沸点（°C）: 186°C
• 融点（°C）: 185°C
• 分子量: 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

参考文献

1. Changcheng Wei, Jinzhe Li, Zhongmin Liu.  (2023)  Selective Synthesis of Butadiene from γ-Valerolactone over ZSM-35 Zeolite.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c03592]

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,      [PMID:] [10.1016/S1872-2067(23)64416-X]

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,      [PMID:] [10.1016/j.matdes.2022.111252]

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,      [PMID:] [10.1016/j.mtcomm.2021.102625]

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,      [PMID:33799207] [10.1016/j.envpol.2021.116915]

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,      [PMID:] [10.1016/j.apcata.2014.04.006]

7. Xiaolei Wang, Mingquan Huang, Yunping Tong, Changyin Zhu, Fengxiao Zhu, Ning Chen, Dongmei Zhou.  (2025)  Formic acid promotes chemical remediation of carbon tetrachloride contaminated soil during thermal activated persulfate processing via reductive radicals.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40773848] [10.1016/j.jhazmat.2025.139455]