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

CAS: 319-84-6 Cat. No.: H101178 Peso molecular: 290.83 Beilstein Registry Number: 7073451 Número EC: 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

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Specifications

Sinónimos

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

Especificaciones y pureza

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

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
• WGK Alemania: 3
• Número ONU: 2811
• Grupo de embalaje: I
• Peso molecular: 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
    • Clase Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de ebullición (°C): 288°C
• Punto de fusión (°C): 156-161°C
• Peso molecular: 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

Referencias

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]