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Diflufenican

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Name

Diflufenican

EINECS N/A
CAS No. 83164-33-4 Density 1.438 g/cm3
PSA 51.22000 LogP 5.49620
Solubility <0.05 mg/L (25 °C) in water Melting Point 159-161 °C
Formula C19H11F5N2O2 Boiling Point 376.2 °C at 760 mmHg
Molecular Weight 394.301 Flash Point 181.3 °C
Transport Information N/A Appearance odorlessness white solid
Safety 61 Risk Codes 52/53
Molecular Structure Molecular Structure of 83164-33-4 (Diflufenican) Hazard Symbols R52/53:;
Synonyms

2',4'-Difluoro-2-(alpha,alpha,alpha-trifluoro-m-tolyloxy)nicotinanilide;N-(2,4-Difluorophenyl)-2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxamide;

Article Data 6

Diflufenican Specification

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.

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