ChemicalBook CAS DataBase List 1746-81-2

1746-81-2

Name	MONOLINURON
CAS	1746-81-2
EINECS(EC#)	217-129-5
Molecular Formula	C9H11ClN2O2
MDL Number	MFCD00055264
Molecular Weight	214.65
MOL File	1746-81-2.mol

Chemical Properties

Melting point	81.5℃
density	1.3575 (rough estimate)
refractive index	1.5790 (estimate)
Fp	100 °C
storage temp.	0-6°C
form	neat
pka	12.80±0.70(Predicted)
color	White to Light yellow to Light orange
Water Solubility	0.58g/L(room temperature)
BRN	2212523
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	N(OC)(C)C(NC1=CC=C(Cl)C=C1)=O
EPA Substance Registry System	Monolinuron (1746-81-2)

Safety Data

Hazard Codes	Xn,N
Risk Statements	22-48/22-50/53 less more
Safety Statements	22-60-61 less more
RIDADR	UN 3077 9/PG 3
WGK Germany	3
RTECS	YS6425000
HS Code	29280000
Safety Profile	Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. When heated to decomposition it emits very toxic fumes of Cland NOx. less more
Hazardous Substances Data	1746-81-2(Hazardous Substances Data)

Hazard Information

Uses

The certified reference material (CRM) is intended to be used as a calibrant for chromatography and other analytical techniques.
Monolinuron CRM may also be used as given below:

Determination of 252 pesticides extracted from surface water samples by solid-phase extraction (SPE) using liquid chromatography quadrupole-orbitrap high-resolution tandem mass spectrometry
Extraction of 13 pesticides from four groundwater and three river water samples using silica-based MSU-1 mesoporous solid as a sorbent for their solid-phase extraction (SPE) followed by ultra-performance liquid chromatography-triple quadrupole-mass spectrometric (UHPLC- QqQ-MS/MS) determination
Development and validation of a UHPLC-diode array detection (DAD) method for simultaneous determination of urea and tebuthiuron herbicides in four fresh vegetable samples
Multi-residue analysis of 50 herbicides in 51 grain samples of soybean, corn, and whe at by ultra-performance liquid chromatography-electrospray ionization-mass spectrometry (UPLC-ESI-MS)
Extraction of 109 pesticide residues from different chemical classes from 345 tomato samples by modified QuEChERS method and their determination using liquid chromatography-tandem mass spectrometry (LC-MS/MS)
Simultaneous analysis of 238 pesticides and 78 veterinary drugs in 80 bovine milk samples using ultra-fast liquid chromatography-tandem mass spectrometry (UFLC-MS/MS) and gas chromatography-tandem mass spectrometry (GC-MS/MS)

Definition

ChEBI: Monolinuron is a member of ureas.

Reactions

Nitrite or nitrate induced-photolysis of monolinuron (a phenyl urea herbicide) using the 300–450 nm light excitation gives rise to various photo-products. The direct photolysis of monolinuron proceeds via two main pathways yielding, respectively, 3-(4-chlorophenyl)-1-methylurea, which results from demethoxylation of the N-terminus substituted functional group and 3-(4-hydroxyphenyl)-1-methoxy-1- methylurea obtained by photohydrolysis of the C-Cl bond[1].
Degradation pathways of monolinuron by direct and nitrite (or nitrate) induced photolysis. Specific photoproducts: circled numbers (direct); underlined numbers (induced):

References

[1] S. Nélieu. “Nitrite and nitrate induced photodegradation of monolinuron in aqueous solution.” Environmental Chemistry Letters 2 2 (2004): 83–87.

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