Gamma-BHC solution - analytical standard, 100ug/ml in petroleum ether , CAS No.58-89-9

CAS: 58-89-9 Cat. No.: B101466 Molecular Weight: 290.83 Beilstein Registry Number: 1907337 EC Number: 200-401-2

GRADE & PURITY Analytical standard, 100ug/ml in petroleum ether

Synonyms

lindane|beta-HCH|1,2,3,4,5,6-Hexachlorocyclohexane|alpha-HCH|gamma-HCH|58-89-9|beta-BHC|Hexachlorane|Kwell|gamma-BHC|Benzene hexachloride|delta-BHC|BETA-HEXACHLOROCYCLOHEXANE|epsilon-HCH|Hexicide|Gamene|Scabene|gamma-hexachlorocyclohexane|beta-Lindane|319

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

lindane | beta-HCH | 1, 2, 3, 4, 5, 6-Hexachlorocyclohexane | alpha-HCH | gamma-HCH | 58-89-9 | beta-BHC | Hexachlorane | Kwell | gamma-BHC | Benzene hexachloride | delta-BHC | BETA-HEXACHLOROCYCLOHEXANE | epsilon-HCH | Hexicide | Gamene | Scabene | gamma-hexachlorocyclohexane | beta-Lindane | 319

Specifications & Purity

analytical standard, 100ug/ml in petroleum ether

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
• RTECS: GV4900000
• UN Number: 2761
• Packing Group: I
• Molecular Weight: 290.83
• Beilstein: 1907337
• 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

• Solubility: Insoluble in water, soluble in benzene, acetone, ether, kerosene, etc.
• Melt Point(°C): 112.5°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

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2. Shujie Wang, Guoqin Liu, Weiwei Cheng.  (2020)  Chloride-mediated co-formation of 3-monochloropropanediol esters and glycidyl esters in both model vegetable oils and chemical model systems.  FOOD RESEARCH INTERNATIONAL,      [PMID:33648197] [10.1016/j.foodres.2020.109879]

3. Yunjiang Yu, Xin Hua, Haibo Chen, Ya’e Wang, Zongrui Li, Yajing Han, Mingdeng Xiang.  (2020)  Toxicity of lindane induced by oxidative stress and intestinal damage in Caenorhabditis elegans.  ENVIRONMENTAL POLLUTION,      [PMID:32416425] [10.1016/j.envpol.2020.114731]

4. 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]

5. Xia Zhou, Qian Zhao, Guangqiang Liu, Hongwen Zhang, Yue Li, Weiping Cai.  (2018)  Kinetically-Controlled Growth of Chestnut-Like Au Nanocrystals with High-Density Tips and Their High SERS Performances on Organochlorine Pesticides.  Nanomaterials,  8  (7): (560).  [PMID:30041432] [10.3390/nano8070560]

6. Liu Qingju, Han Ping, Gong Wenwen, Wang Hui, Feng Xiaoyuan.  (2018)  Colorimetric determination of the pesticide chlorothalonil based on the aggregation of gold nanoparticles.  MICROCHIMICA ACTA,  185  (7): (1-7).  [PMID:29971610] [10.1007/s00604-018-2890-7]

7. Jiayu Chen, Chun Ji, Xiao Wang, Yunxia Tian, Han Tao.  (2024)  A new plant-esterase inhibition based electrochemical sensor with signal amplification by MoS2@N-CDs for chlorpyrifos detection.  RSC Advances,  14  (15): (10703-10713).  [PMID:38567337] [10.1039/D4RA00009A]

8. Meng Liu, Xin Su, Jing Yuan, Xueling Yang, Yuxuan Chen, Qianru Xu, Xiaowei Huang, Jianming Xu, Yan He.  (2024)  Unravelling the processes involved in biodegradation of chlorinated organic pollutant: From microbial community to isolated organohalide degraders.  WATER RESEARCH,      [PMID:39504695] [10.1016/j.watres.2024.122730]

9. 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]