β-HCH - analytical standard , CAS No.319-85-7

CAS: 319-85-7 Cat. No.: H114177 Summenformel: C₆H₆Cl₆ Molekulargewicht: 290.83 Beilstein Registry Number: 1907338 EG-Nummer: 206-271-3

GRADE & PURITY Analytical standard

Synonyms

Scabene | 1,2,3,4,5,6-Hexachlorocyclohexane | Benzene hexachloride | Gamene | gamma-HCH | gamma-hexachlorocyclohexane | beta-BHC | alpha-HCH | epsilon-HCH | BETA-HEXACHLOROCYCLOHEXANE | Kwell | beta-Lindane | lindane | beta-HCH | Hexicide | delta-BHC | ga

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

Scabene | 1,2,3,4,5,6-Hexachlorocyclohexane | Benzene hexachloride | Gamene | gamma-HCH | gamma-hexachlorocyclohexane | beta-BHC | alpha-HCH | epsilon-HCH | BETA-HEXACHLOROCYCLOHEXANE | Kwell | beta-Lindane | lindane | beta-HCH | Hexicide | delta-BHC | ga

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528768842
• Kanonisches Lächeln: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,3,4,5,6-hexachlorocyclohexane
• InChIKey: JLYXXMFPNIAWKQ-UHFFFAOYSA-N
• INCHI: 1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
• Isomere SMILES: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
• WGK Deutschland: 3
• RTECS: GV4375000
• UN-Nummer: 2761
• Verpackungsgruppe: I
• Molekulargewicht: 290.83
• Beilstein: 1907338
• Reaxy-Rn: 1907331
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907331&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organochloride - Alkyl chloride - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): ≥300°C
• Molekulargewicht: 290.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 289.857 Da
• Monoisotopic Mass: 287.86 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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

Referenzen

1. Xia Zhou, Qian Zhao, Guangqiang Liu, Weiping Cai.  (2019)  4-Mercaptophenylboronic acid modified Au nanosheets-built hollow sub-microcubes for active capture and ultrasensitive SERS-based detection of hexachlorocyclohexane pesticides.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.04.153]

2. Liu Qian, Wang Qihan, Xu Cheng, Shao Wentao, Zhang Chunlan, Liu Hui, Jiang Zhaoyan, Gu Aihua.  (2017)  Organochloride pesticides impaired mitochondrial function in hepatocytes and aggravated disorders of fatty acid metabolism.  Scientific Reports,  7  (1): (1-11).  [PMID:28397872] [10.1038/srep46339]

3. Mingxue Wu, Gang Chen, Ping Liu, Weihong Zhou, Qiong Jia.  (2015)  Preparation of porous aromatic framework/ionic liquid hybrid composite coated solid-phase microextraction fibers and their application in the determination of organochlorine pesticides combined with GC-ECD detection.  ANALYST,  141  (1): (243-250).  [PMID:26579991] [10.1039/C5AN01372K]

4. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao.  (2025)  The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:41240894] [10.1016/j.scitotenv.2025.180881]

5. Dongdong Shi, Guiqin Yan.  (2026)  Turn-Off Fluorescent Sensor Based on 3-Aminophenylboronic Acid-Modified CdSe/ZnS Quantum Dots for Specific Detection of γ-Hexachlorocyclohexane (Lindane).  MOLECULES,  31  (17): (2989).  [PMID:] [10.3390/molecules31172989]