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1746-81-2

Basic Information
CAS No.: 1746-81-2
Name: Urea,N'-(4-chlorophenyl)-N-methoxy-N-methyl-
Article Data: 23
Cas Database
Molecular Structure:
Molecular Structure of 1746-81-2 (Urea,N'-(4-chlorophenyl)-N-methoxy-N-methyl-)
Formula: C9H11ClN2O2
Molecular Weight: 214.652
Synonyms: 1-Methoxy-1-methyl-3-(4-chlorophenyl)urea;3-(4-Chlorophenyl)-1-methoxy-1-methylurea;3-(4-Chlorophenyl)-1-methyl-1-methoxyurea;Monorotox;N-(4-Chlorophenyl)-N'-methoxy-N'-methylurea;N-4-Chlorophenyl-N'-methyl-N'-methoxyurea;N-Methyl-N-methoxy-N'-(4-chlorophenyl)urea;N'-(4-Chlorophenyl)-N-methoxy-N-methylurea;N'-(4-Chlorophenyl)-N-methyl-N-methoxyurea;
EINECS: 217-129-5
Density: 1.304 g/cm3
Melting Point: 76-78oC
Boiling Point: N/A
Flash Point: 100 °C
Solubility: 0.735 g/L in water
Appearance: N/A
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 22-48/22-50/53
Safety: 22-60-61
Transport Information: UN 3077 9/PG 3
PSA: 41.57000
LogP: 2.43810
Downstream Products
74-89-5
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Monolinuron, with the CAS registry number 1746-81-2, is also known as Urea, N'-(4-chlorophenyl)-N-methoxy-N-methyl-. It belongs to the product categories of Alpha sort; Herbicides; H-Malphabetic; M; Meti - Mzpesticides & Metabolites; Pesticides & Metabolites; Urea Structure. Its EINECS registry number is 217-129-5. This chemical's molecular formula is C9H11ClN2O2 and molecular weight is 214.65. What's more, both its IUPAC name and systematic name are the same which is called 3-(4-Chlorophenyl)-1-methoxy-1-methylurea. It should be stored in a cool, dry and well-ventilated place. Monolinuron is a pesticide, more specifically a selective systemic herbicide and a algaecide. As a herbicide, it is used to control broad-leaved weeds and annual grasses in vegetable crops such as leeks, potatoes and dwarf french beans. It affects the photosynthesis in weeds.

Physical properties about Monolinuron are: (1)ACD/LogP: 2.375; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.61; (6)ACD/BCF (pH 7.4): 37.61; (7)ACD/KOC (pH 5.5): 466.88; (8)ACD/KOC (pH 7.4): 466.88; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 55.519 cm3; (15)Molar Volume: 164.589 cm3; (16)Polarizability: 22.01×10-24cm3; (17)Surface Tension: 47.469 dyne/cm; (18)Density: 1.304 g/cm3.

Preparation of Monolinuron: this chemical can be prepared by N,O-dimethyl-hydroxylamine; hydrochloride with chloromethyl N-(4-chlorophenyl) carbamate. This reaction needs reagent Et3N and solvent ethanol at ambient temperature. The reaction time is 4.5 hours. The yield is 94 %.

Monolinuron can be prepared by N,O-dimethyl-hydroxylamine; hydrochloride with chloromethyl N-(4-chlorophenyl) carbamate.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It has serious damage to health by prolonged exposure if swallowed. In addition, it is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should avoid releasing to the environment and refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(NC(=O)N(OC)C)cc1
(2) 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)
(3) InChIKey: LKJPSUCKSLORMF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 500mg/kg (500mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 158, 1976.
rat LD50 oral 1800mg/kg (1800mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.