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Fenuron - analytical standard, high purity , CAS No.101-42-8
Basic Description
Synonyms
FENURON | 1,1-Dimethyl-3-phenylurea | 101-42-8 | Falisilvan | Dybar | N,N-Dimethyl-N'-phenylurea | Urea, N,N-dimethyl-N'-phenyl- | Electrum | Fenidin | Dibar | Amicure UR | Omicure 94 | Quintex | N-Phenyl-N',N'-dimethylurea | Croptex Chrome | Herbon Yellow | Croptex Ruby | 3-Phenyl-1,1-di
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Isoureas Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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
1,1-dimethyl-3-phenylurea
INCHI
InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
InChIKey
XXOYNJXVWVNOOJ-UHFFFAOYSA-N
Smiles
CN(C)C(=O)NC1=CC=CC=C1
Isomeric SMILES
CN(C)C(=O)NC1=CC=CC=C1
Molecular Weight
164.2
Reaxy-Rn
2208535
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208535&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water and hydrocarbons, easily soluble in alcohols and ketones.
Melt Point(°C)
134～136℃
Molecular Weight
164.200 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
164.095 Da
Monoisotopic Mass
164.095 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
151.000
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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1 Citations