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The Diflufenican, with the CAS registry number 83164-33-4, is also known as N-(2,4-Difluorophenyl)-2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxamide. It belongs to the product categories of Detergents; Aldehydes; Intermediates & Fine Chemicals; Mutagenesis Research Chemicals; Pharmaceuticals; Alpha sort; AmidePesticides&Metabolites; D; DAlphabetic;DID - DIN; Herbicides; Pesticides&Metabolites. This chemical's molecular formula is C19H11F5N2O2 and molecular weight is 394.30. Its IUPAC name is called N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide. This chemical's classification codes are Agricultural Chemical; Herbicide; Reproductive Effect. It is odorlessness white solid which should be stored in cold storage(0-6 °C). This chemical can be prepared by 3-trifluoro methyl phenol and 2-chloro-3-pyridine carboxylic acid.
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Physical properties of Diflufenican: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 348.26; (6)ACD/BCF (pH 7.4): 340.02; (7)ACD/KOC (pH 5.5): 2296.45; (8)ACD/KOC (pH 7.4): 2242.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 90.33 cm3; (14)Molar Volume: 274 cm3; (15)Surface Tension: 43.4 dyne/cm; (16)Density: 1.438 g/cm3; (17)Melting Point: 110 °C; (18)Flash Point: 181.3 °C; (19)Enthalpy of Vaporization: 62.38 kJ/mol; (20)Boiling Point: 376.2 °C at 760 mmHg; (21)Vapour Pressure: 7.39E-06 mmHg at 25°C.
Uses of Diflufenican: it can be used to produce 2,4-difluoro-aniline. This reaction will need reagent KOH and solvent H2O with reaction time of 60 hours. The yield is about 21%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful to aquatic organisms which may cause long-term adverse effects in the aquatic environment. You should avoid releasing it to the environment. When you will use it, please refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F
(2)InChI: InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
(3)InChIKey: WYEHFWKAOXOVJD-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | Pesticide Manual. Vol. 9, Pg. 283, 1991. | |
rabbit | LD50 | oral | 5gm/kg (5000mg/kg) | Defense des Vegetaux. Vol. 41(247), Pg. 21, 1987. | |
rat | LD50 | oral | 2gm/kg (2000mg/kg) | Defense des Vegetaux. Vol. 41(247), Pg. 21, 1987. | |
rat | LD50 | skin | 2gm/kg (2000mg/kg) | Defense des Vegetaux. Vol. 41(247), Pg. 21, 1987. |