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CAS No.: | 51218-45-2 |
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Name: | Metolachlor |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C15H22ClNO2 |
Molecular Weight: | 283.798 |
Synonyms: | CGA24705;Codal;Dual 720EC;Dual II;Dual Magnum;Dual Triple;Jindual;Metoken;N-(1-Methyl-2-methoxyethyl)-N-chloroacetyl-2-ethyl-6-methylaniline;Pennant;Yibingjiacaoan;2-Chlor-N-(2-ethyl-6-methylphenyl)-N-(1-methoxy-2-propanyl)acetamide;acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-; |
EINECS: | 257-060-8 |
Density: | 1.101 g/cm3 |
Melting Point: | 25°C |
Boiling Point: | 406.819 °C at 760 mmHg |
Flash Point: | 199.837 °C |
Solubility: | Slightly soluble in water |
Appearance: | Tan to brown oily liquid with a slightly sweet odor |
Hazard Symbols: | Xi,Xn,F |
Risk Codes: | 43-36-20/21/22-11 |
Safety: | 36/37-36-26-16 |
Transport Information: | UN 1648 3/PG 2 |
PSA: | 29.54000 |
LogP: | 3.16410 |
The Metolachlor, with the CAS registry number 51218-45-2 and EINECS registry number 257-060-8, has the systematic name of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide. It is a kind of Tan to brown oily liquid with a slightly sweet odor. And the molecular formula of this chemical is C15H22ClNO2. It is a derivative of aniline, and belongs to the following product categories: Agro-Chemicals; Herbicide; Alpha sort; Amide Method Specific; Endocrine Disruptors (Draft)Pesticides & Metabolites; EPA; Herbicides; H-MAlphabetic; M; METI - MZ; Pesticides & Metabolites.
The physical properties of Metolachlor are as following: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.027; (4)ACD/LogD (pH 7.4): 3.027; (5)ACD/BCF (pH 5.5): 117.568; (6)ACD/BCF (pH 7.4): 117.579; (7)ACD/KOC (pH 5.5): 1055.632; (8)ACD/KOC (pH 7.4): 1055.724; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 80.055 cm3; (15)Molar Volume: 257.787 cm3; (16)Polarizability: 31.736×10-24cm3; (17)Surface Tension: 38.764 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 199.837 °C; (20)Enthalpy of Vaporization: 65.861 kJ/mol; (21)Boiling Point: 406.819 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation and uses of Metolachlor: It can be produced from 2-ethyl-6-methylaniline (MEA) via condensation with methoxyacetone. It is a member of the chloroacetanilide herbicides, and highly effective toward grasses, so it is widely used as an herbicide.
You should be cautious while dealing with this chemical. It may cause sensitization by skin contact. Therefore, you had better wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cccc(c1N(C(C)COC)C(=O)CCl)C
(2)InChI: InChI=1/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
(3)InChIKey: WVQBLGZPHOPPFO-UHFFFAOYAS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
duck | LD50 | oral | > 2510mg/kg (2510mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C203, 1991. | |
mouse | LD50 | intraperitoneal | 410mg/kg (410mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 14, Pg. 103, 1989. | |
mouse | LD50 | oral | 1150mg/kg (1150mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 14, Pg. 103, 1989. | |
mouse | LD50 | subcutaneous | 2400mg/kg (2400mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 14, Pg. 103, 1989. | |
rabbit | LD50 | skin | > 10gm/kg (10000mg/kg) | Literature Research Co., Translation. Vol. TR-78-0310, | |
rat | LC50 | inhalation | > 1750mg/m3/4H (1750mg/m3) | Literature Research Co., Translation. Vol. TR-78-0310, | |
rat | LD50 | intraperitoneal | 620mg/kg (620mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 14, Pg. 103, 1989. | |
rat | LD50 | oral | 2200mg/kg (2200mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 14, Pg. 103, 1989. | |
rat | LD50 | skin | 3170mg/kg (3170mg/kg) | Materialy Sesji Naukowej Instytutu Ochrony Roslin Vol. 18, Pg. 341, 1979. | |
rat | LD50 | subcutaneous | > 9gm/kg (9000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 14, Pg. 103, 1989. | |
rat | LD50 | unreported | 3170mg/kg (3170mg/kg) | Agrokhimiya. Agricultural Chemistry. Vol. (5), Pg. 138, 1980. |