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Monuron

CAT: 0804-HY-B1875-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1875-03Size:100 mg
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Description
Monuron is a phenylurea herbicide which inhibits photosynthesis[1].
CAS Number
150-68-5
UNSPSC
12352005
Hazard Statement
H302, H351, H410
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/monuron.html
Purity
99.96
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC1=CC=C(Cl)C=C1)N(C)C
Molecular Formula
C9H11ClN2O
Molecular Weight
198.65
Precautions
H302, H351, H410
References & Citations
[1]National Toxicology Program. NTP Toxicology and Carcinogenesis Studies of Monuron (CAS No. 150-68-5) in F344/N Rats and B6C3F1 Mice (Feed Studies) . Natl Toxicol Program Tech Rep Ser. 1988 Aug;266:1-166.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Monuron

Monuron is a member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a 3-(3,4-substituted-phenyl)-1,1-dimethylurea and a member of monochlorobenzenes.

CAS Number150-68-5
PubChem CID8800
IUPAC Name3-(4-chlorophenyl)-1,1-dimethylurea
Molecular FormulaC9H11ClN2O
Molecular Weight198.65
XLogP1.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
BMLIZLVNXIYGCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monuron
CAS: 150-68-5
CID: 8800
Formula: C9H11ClN2O
MW: 198.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.65
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass198.0559907
Monoisotopic Mass198.0559907
Topological Polar Surface Area32.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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