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| CAS No.: | 330-55-2 |
|---|---|
| Name: | Linuron |
| Molecular Structure: | |
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| Formula: | C9H10Cl2N2O2 |
| Molecular Weight: | 249.097 |
| Synonyms: | Urea,3-(3,4-dichlorophenyl)-1-methoxy-1-methyl- (6CI,7CI,8CI);1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea;1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea;3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea;3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea;Afalon;Afalon inuron;Alfalon;Aphalon;Cephalon;Du Pont 326;Du Pont Herbicide 326;Herbicide 326;Linex;Linurex;Linuron;Liron;Lorex;Lorox;Methoxydiuron;N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea;N'-(3,4-Dichlorophenyl)-N-methoxy-N-methylurea;Sarclex;Sinuron; |
| EINECS: | 206-356-5 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 93-94 °C |
| Boiling Point: | 180-190 °C |
| Flash Point: | 11 °C |
| Solubility: | 0.0075 g/100 mL in water |
| Appearance: | colorless crystals |
| Hazard Symbols: |
 T,  N
|
| Risk Codes: | 61-22-40-48/22-50/53-62-39/23/24/25-23/24/25-11 |
| Safety: | 53-45-60-61-36/37 |
| PSA: | 41.57000 |
| LogP: | 3.09150 |
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Specification
The 3-(3,4-Dichlorophenyl)-1-methoxy-methylurea, with the CAS registry number 330-55-2, is also known as 1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea. It belongs to the product categories of Herbicide; Alpha sort; Endocrine Disruptors (Draft)Pesticides&Metabolites; H-MAnalytical Standards; LPesticides&Metabolites; Urea structureMethod Specific; 2000/60/EC; Alphabetic; Endocrine Disruptors (Draft)Analytical Standards; EPA; European Community: ISO and DIN; Herbicides; Method Specific. Its EINECS registry number is 206-356-5. Its IUPAC name is called 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea. This chemical's classification codes are Agricultural Chemical; Herbicide; Herbicides; Mutation data; Pesticides. It is colorless crystals.
Physical properties of 3-(3,4-Dichlorophenyl)-1-methoxy-methylurea: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 159.44; (6)ACD/BCF (pH 7.4): 159.43; (7)ACD/KOC (pH 5.5): 1312.87; (8)ACD/KOC (pH 7.4): 1312.84; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 60.41 cm3; (14)Molar Volume: 176.5 cm3; (15)Surface Tension: 49.3 dyne/cm; (16)Density: 1.41 g/cm3; (17)Melting Point: 93-94 °C; (18)Flash Point: 11 °C °C; (19)Boiling Point: 180-190°C at 760 mmHg.
Preparation: this chemical can be prepared by hydroxylurea and dimethyl sulfate. This reaction will need 20% NaOH. The reaction time is 4 hours with reaction temperature of 20-30 ℃. The yield is about 90%.
Uses of 3-(3,4-Dichlorophenyl)-1-methoxy-methylurea: The 3-(3,4-Dichlorophenyl)-1-methoxy-methylurea can be used to prevent body-load single and double cotyledons weeds and some this perennial weeds in corn, wheat and cotton, soybeans, sorghum, peanut, peas, potatoes, sunflower, sugarcane, flax, as well as various vegetables and fruit trees, forest nursery and other crops. Rat oral LD for 4000mg/kg.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It is toxic by inhalation, in contact with skin and if swallowed. This chemical may cause harm to the unborn child. It is possible risk of impaired fertility. When using it, please wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
(2)InChI: InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
(3)InChIKey: XKJMBINCVNINCA-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 3765mg/kg (3765mg/kg) | Veterinariya. Veterinary Science. Vol. 58(7), Pg. 63, 1982. | |
| dog | LD50 | oral | 500mg/kg (500mg/kg) | Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 317, 1973. | |
| mouse | LD50 | oral | 1500mg/kg (1500mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 387, 1985. | |
| rabbit | LD50 | oral | 2250mg/kg (2250mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A248, Pg. 1984, | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 520, 1991. | |
| rat | LC50 | inhalation | 48mg/m3/4H (48mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 48, 1982. | |
| rat | LD50 | oral | 1146mg/kg (1146mg/kg) | Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986. | |
| rat | LD50 | skin | > 2500mg/kg (2500mg/kg) | Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986. |