beta-HCH solution (Cas No 319-85-7) analytical standard, 50ug/ml in methanol high purity and research grade

Pubchem Sid	528768843
정식 스마일	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
이성체 SMILES	C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
WGK 독일	3
RTECS	GV4375000
UN 번호	2761
포장 그룹	I
분자량	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
분류	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
설명	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
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

3D 구조

인증서(CoA, COO, BSE/TSE 및 분석 차트)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	날짜	항목
G2213289	Certificate of Analysis	Jun 18, 2022	H117399

화학 및 물리적 특성

감도	light sensitive
녹는점(°C)	≥300°C
분자량	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 Å²
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

Citations of This Product

참고 문헌

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]

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리뷰

beta-HCH solution - analytical standard, 50ug/ml in methanol , CAS No.319-85-7