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4-Chlororesorcinol - 98%, high purity , CAS No.95-88-5
Basic Description
Synonyms
CI-76510 | EN300-21163 | AS-12812 | BRN 2042864 | F19551 | 2,4-Dihydroxychlorobenzene | SCHEMBL33883 | FT-0664975 | WLN: QR CQ DG | AI3-03873 | 4-chlororesorcine | 4-Chloro-1,3-dihydroxybenzene | DTXSID8052643 | BP-11746 | HY-W015658 | 4-Chlororesorcinol,
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Resorcinols
Alternative Parents
P-chlorophenols O-chlorophenols Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Resorcinol - Chlorobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
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.
Names and Identifiers
Pubchem Sid
488179637
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488179637
IUPAC Name
4-chlorobenzene-1,3-diol
INCHI
InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKey
JQVAPEJNIZULEK-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1O)O)Cl
Isomeric SMILES
C1=CC(=C(C=C1O)O)Cl
WGK Germany
3
RTECS
VH0450000
Molecular Weight
144.56
Beilstein
2042864
Reaxy-Rn
2042864
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042864&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Sensitivity
Air sensitive.Light sensitive.
Boil Point(°C)
256°C
Melt Point(°C)
105.0-110.0°C
Molecular Weight
144.550 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
143.998 Da
Monoisotopic Mass
143.998 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
97.100
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.
Xiangchun Yang, Xiufeng Lang, Wenjian Dong, Liangmin Yu, Guobo Chen, Xia Li.
(2023)
Experimental and theoretical investigations on the inhibition of mild steel corrosion by capsaicin derivatives in hydrochloric acid.
JOURNAL OF MOLECULAR STRUCTURE,
1283
(135341).
2.
Yifan Zhang, Jiahao Yu, Guijun Liu, Xiaoyue Jin, Ruihong Liu, Jiancheng Du, Wenbin Xue.
(2022)
Degradation of 2,4-dichlorophenol by cathodic microarc plasma electrolysis: characteristics and mechanisms.
ENVIRONMENTAL TECHNOLOGY,
3.
Huanting Hu, Kangkang Miao, Xiaolin Luo, Sifan Guo, Xueqin Yuan, Fei Pei, Huaming Qian, Guodong Feng.
(2021)
Efficient Fenton-like treatment of high-concentration chlorophenol wastewater catalysed by Cu-Doped SBA-15 mesoporous silica.
Journal of Cleaner Production,
318
(128632).
4.
Xiang Wei, Zhang Beiping, Zhou Tao, Wu Xiaohui, Mao Juan.
(2016)
An insight in magnetic field enhanced zero-valent iron/H2O2 Fenton-like systems: Critical role and evolution of the pristine iron oxides layer.
Scientific Reports,
6
(1):
(1-11).
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