α-BHC solution - analytical standard, 50ug/ml in methanol:toluene(4:1) , CAS No.319-84-6

CAS: 319-84-6 Cat. No.: H101178 Molecular Weight: 290.83 Beilstein Registry Number: 7073451 EC Number: 206-270-8

GRADE & PURITY Analytical standard, 50ug/ml in methanol:toluene(4:1)

Synonyms

Hexapoudre | Hexatox | Hexaverm | Scabene | Gexane | Gammalin 20 | Hexablanc | 1,2,3,4,5,6-Hexachlorocyclohexane | Benzene hexachloride | Gamene | gamma-HCH | Heclotox | Gyben | Lindatox | Owadziak | (+)-alpha-HCH | Gammexane | Hexamul | Lindagrain | Stre

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Hexapoudre | Hexatox | Hexaverm | Scabene | Gexane | Gammalin 20 | Hexablanc | 1, 2, 3, 4, 5, 6-Hexachlorocyclohexane | Benzene hexachloride | Gamene | gamma-HCH | Heclotox | Gyben | Lindatox | Owadziak | (+)-alpha-HCH | Gammexane | Hexamul | Lindagrain | Stre

Specifications & Purity

analytical standard, 50ug/ml in methanol:toluene(4:1)

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
• WGK Germany: 3
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 290.83
• Beilstein: 7073451
• 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
    • Class Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Boil Point(°C): 288°C
• Melt Point(°C): 156-161°C
• Molecular Weight: 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

References

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. 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]

3. 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]