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Metoxuron - analytical standard, high purity , CAS No.19937-59-8
Basic Description
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Ureas Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylurea - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Carbonic acid derivative - Urea - Ether - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Phenylurea herbicides
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
IUPAC Name
3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
INCHI
InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
InChIKey
DSRNRYQBBJQVCW-UHFFFAOYSA-N
Smiles
CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
Isomeric SMILES
CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
WGK Germany
2
RTECS
YS5775000
UN Number
3077
Molecular Weight
228.68
Beilstein
2128284
Reaxy-Rn
2128284
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2128284&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
124-127°C
Molecular Weight
228.670 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
228.067 Da
Monoisotopic Mass
228.067 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
223.000
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.
Chun Wang, Qianqian Wang, Jintao Yu, Xinmeng Wang, Lijuan Wang, Bin Zhao, Lin Hao, Weihua Liu, Zhi Wang, Hao Chen, Qiuhua Wu.
(2023)
Converting waste expanded polystyrene into higher-value-added hyper-crosslinked porous polymer for rapid and high-efficient adsorption of aflatoxins. Journal of Cleaner Production,
408
(137102).
2.
Weihua Liu, Juntao Wang, Shuangju Song, Lin Hao, Jiajia Liu, Yangjuan An, Yaxing Guo, Qiuhua Wu, Chun Wang, Zhi Wang.
(2022)
Facile synthesis of uniform spherical covalent organic frameworks for determination of neonicotinoid insecticides. FOOD CHEMISTRY,
367
(130653).
3.
Mingming Xu, Yangjuan An, Qianqian Wang, Junmin Wang, Lin Hao, Chun Wang, Zhi Wang, Junhong Zhou, Qiuhua Wu.
(2021)
Construction of hydroxyl functionalized magnetic porous organic framework for the effective detection of organic micropollutants in water, drink and cucumber samples. JOURNAL OF HAZARDOUS MATERIALS,
412
(125307).
4.
Qiuhua Wu, Yuhong Song, Qianqian Wang, Weihua Liu, Lin Hao, Zhi Wang, Chun Wang.
(2021)
Combination of magnetic solid-phase extraction and HPLC-UV for simultaneous determination of four phthalate esters in plastic bottled juice. FOOD CHEMISTRY,
339
(127855).
5.
Gao Tian, Wang Junmin, Hao Lin, Yang Xiumin, Wang Chun, Wu Qiuhua, Wang Zhi.
(2018)
A magnetic knitting aromatic polymer as a new sorbent for use in solid-phase extraction of organics. MICROCHIMICA ACTA,
185
(12):
(1-9).
6.
Juntao Wang, Menghua Li, Caina Jiao, Yuhong Song, Chun Wang, Qiuhua Wu, Zhi Wang.
(2017)
Preparation of a magnetic porous organic polymer for the efficient extraction of phenylurea herbicides. JOURNAL OF CHROMATOGRAPHY A,
1519
(19).
7.
Juanjuan Wu, Ruiyang Ma, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang.
(2017)
Triphenylamine-based hypercrosslinked organic polymer as adsorbent for the extraction of phenylurea herbicides. JOURNAL OF CHROMATOGRAPHY A,
1520
(48).
8.
Menghua Li, Juntao Wang, Caina Jiao, Chun Wang, Qiuhua Wu, Zhi Wang.
(2016)
Graphene oxide framework: An adsorbent for solid phase extraction of phenylurea herbicides from water and celery samples. JOURNAL OF CHROMATOGRAPHY A,
1469
(17).
9.
Chenhuan Wang, Qianqian Wang, Kaiyuan Si.
(2025)
Construction of carboxyl-functionalized hyper-cross-linked porous polymers using waste polystyrene for effective adsorption of phenolic contaminants. JOURNAL OF CHROMATOGRAPHY A,
1750
(465925).
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9 Citations
J22111129