Basic information
- CAS
19937-59-8- Standard SMILES
COc1ccc(NC(=O)N(C)C)cc1Cl- InChIKey
DSRNRYQBBJQVCW-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.0665554
Overview
Metoxuron 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 3-chloro-4-methoxyphenyl group while the other is substituted by two methyl groups. It is a plant growth regulator and a pre- and post-emergence herbicide used for the control of grasses and broad-leaved weeds in carrots and cereals (e.g. wheat, barley and rye). It has a role as a herbicide, a photosystem-II inhibitor, a plant growth regulator, an agrochemical, a xenobiotic and an environmental contaminant. It is a 3-(3,4-substituted-phenyl)-1,1-dimethylurea, a monomethoxybenzene and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- Metoxuron
- IUPAC
- 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
- English name
- METOXURON
- Molecular formula
- C10H13ClN2O2
- Molecular weight
- 228.68
Names & synonyms
METOXURON19937-59-8DosanexPurivelDosagranSulerexDeftorDosaflo3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylureaUrea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl-SAN 6915HSAN 7102H
Show more names
INVESTTSAN 6602SAN 7102san6915h
MX3 herbicideN'-(3-Chloro-4-methoxyphenyl)-N,N-dimethylureaN-(3-Chloro-4-methoxyphenyl)-N',N'-dimethylureaN,N-Dimethyl-N'-(4-methoxy-3-chlorophenyl)ureaUrea, 3-(3-chloro-4-methoxyphenyl)-1,1-dimethyl-Y58EM37E76(3-Chloro-4-methoxyphenyl)-N,N-dimethylureaSAN-6602
Database identifiers
- CAS
19937-59-8- PubChem CID
- 29863
- DTXSID
DTXSID1042158- ChEBI
CHEBI:6907- UNII
- Y58EM37E76
- EC Number
- 243-433-2
- Nikkaji
- J2.754E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Metoxuron) -> USDA PDB
LogP1.64
Physicochemical properties
- Melting point
- 124 · 124-127 °C
- Boiling point
- 391.6 · 391.6±42.0 °C(Predicted)
- Density
- 1.31 · 1.3100 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 2 °C · 2 °C
- storage temp.
- 4 °C · APPROX 4°C
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 13.83 · 13.83±0.70(Predicted)
- color
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information2002/2076
Other Safety InformationIMAP assessments - Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl-: Human health tier I assessment
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- WGK 2
- rtecs
- YS5775000
- ridadr
- UN3077 9/PG 3
- Toxicity
- mouse,LD50,oral,2542mg/kg (2542mg/kg),ENDOCRINE: OTHER CHANGESBLOOD: OTHER CHANGES,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(2), Pg. 13, 1982.
- risk_code
- 50/53-36-20/21/22-11
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N,Xn,F
- safety_code
Chemistry & industry
Applications
UsesMetoxuron is used as a herbicide.
Upstream & downstream products
Downstream products
Suppliers39 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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