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Monolinuron - analytical standard, high purity , CAS No.1746-81-2
Basic Description
Synonyms
MONOLINURON | 1746-81-2 | 3-(4-Chlorophenyl)-1-methoxy-1-methylurea | Monorotox | Arezin | Premalin | Aresin | Arezine | Urea, N'-(4-chlorophenyl)-N-methoxy-N-methyl- | HOE 2747 | Urea, 3-(p-chlorophenyl)-1-methoxy-1-methyl- | N'-(4-Chlorophenyl)-N-methoxy-N-methylurea | N-(4-Ch
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
Chlorobenzenes Aryl chlorides Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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.
Associated Targets(Human)
Associated Targets(non-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
3-(4-chlorophenyl)-1-methoxy-1-methylurea
INCHI
InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
LKJPSUCKSLORMF-UHFFFAOYSA-N
Smiles
CN(C(=O)NC1=CC=C(C=C1)Cl)OC
Isomeric SMILES
CN(C(=O)NC1=CC=C(C=C1)Cl)OC
WGK Germany
3
RTECS
YS6425000
UN Number
3077
Molecular Weight
214.65
Beilstein
2212523
Reaxy-Rn
2212523
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212523&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
100 °C
Flash Point(°C)
100°C
Melt Point(°C)
79-80°C
Molecular Weight
214.650 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
214.051 Da
Monoisotopic Mass
214.051 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
193.000
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
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24 Citations
C1715059