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Pentachlorobenzene - analytical standard, high purity , CAS No.608-93-5
Basic Description
Synonyms
DTXSID7024247 | PENTACHLOROBENZENE | QCB | 2,3,4,5,6-PENTACHLOROBENZENE | EN300-19630 | C18141 | CDS1_000148 | EINECS 210-172-0 | Benzene, 1,2,3,4,5-pentachloro- | AKOS009031527 | MLS002454433 | RCRA waste number U183 | SR-01000645029-1 | HMS548G16 | D62G
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Product Description
It was used to prepare tetrachlorobenzene by photolysis.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
pentachlorobenzenes
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1,2,3,4,5-pentachlorobenzene
INCHI
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
CEOCDNVZRAIOQZ-UHFFFAOYSA-N
Smiles
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
Isomeric SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
WGK Germany
3
RTECS
DA6640000
UN Number
3077
Packing Group
III
Molecular Weight
250.34
Beilstein
1911550
Reaxy-Rn
1911550
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911550&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
275-277°C
Melt Point(°C)
84-87°C
Molecular Weight
250.300 g/mol
XLogP3
5.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
249.849 Da
Monoisotopic Mass
247.852 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
125.000
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
1.
Jun Zhang, Xujiao Xie, Qing Li, Ji Wang, Shuai Zhang.
(2023)
Combined toxic effects of TiO2 nanoparticles and organochlorines on Chlorella pyrenoidosa in karst area natural waters. AQUATIC TOXICOLOGY,
257
(106442).
2.
Wan Qiu Xia, Su Han Wang, Yin Liang Wu, Jian Ping Wang.
(2023)
Synthesis of magnetic molecularly imprinted microsphere and development of an enhanced semi-homogeneous method for detection of pentachlorophenol in fish. MICROCHEMICAL JOURNAL,
189
(108512).
3.
Luyi Chen, Junlong Huang, Yueru Shi, Xiaoru Peng, Yixin Kuang, Suxin Zhou, Juan Zheng, Xin Yang, Gangfeng Ouyang.
(2022)
Polystyrene-based nanospheres with controllable microstructures for exceptional solid phase microextraction of organic pollutants. CHEMICAL ENGINEERING JOURNAL,
428
(132527).
4.
Jianping Ye, Qing Zhou, Zhihong Yan, Kang Li.
(2021)
Preparation of multicolor luminescence Schiff-base compound based on solvent control and its application in the detection of pentachloronitrobenzene. ANALYTICA CHIMICA ACTA,
1178
(338794).
5.
Yueyue Shen, Shilin Zhao, Yue Li, Qian Liu, Chongdi Ma, Hui Mao, Yang Liao, Jun Ma.
(2017)
A feasible approach to dispose of soil washing wastes: adsorptive removal of chlorobenzene compounds in aqueous solutions using humic acid modified with monoolein (HA–M). RSC Advances,
7
(16):
(9662-9668).
6.
Li Yong-Fang, Yang Zhong-Zhi, Fan Jing, Zhu Yong.
(2013)
Occurrence of Higher Chlorinated Benzenes in Livers of Grass Carp and Common Carp Collected from Markets of Xinxiang, China. BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY,
91
(5):
(522-525).
7.
Yongfang Li,Zhongzhi Yang,Xiaoduo Kong,Guangjie He.
(2011-06-30)
Occurrence and characterization of selected organochlorine contaminants in outdoor dust collected from Xinxiang, a fast developing city in North China.. Environmental monitoring and assessment,
184
((5)):
(3085-3094).
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7 Citations
I2122243