CAS No.71422-67-8,Chlorfluazuron Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	71422-67-8
Name:	Chlorfluazuron
Article Data:	6

Formula:	C₂₀H₉Cl₃F₅N₃O₃
Molecular Weight:	540.661
Synonyms:	AI3-29785;Aim;Aim (insecticide);Atabron;CGA 112913;IKI 7899;Jupiter;Jupiter (pesticide);N-(2,6-Difluorobenzoyl)-N'-[3,5-dichloro-4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenyl]urea;PP 145 (insecticide);
EINECS:	242-070-7
Density:	1.626 g/cm³
Melting Point:	232-233.5 °C
Solubility:	Hardly soluble in water, but soluble in acetone
Appearance:	White crystals or crystalline powder
Transport Information:	UN 3077 9/PG 3
PSA:	80.32000
LogP:	7.55690

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Specification

The Chlorfluazuron, with the CAS registry number 71422-67-8, is also known as Atabron. It belongs to the product categories of Insecticide; CHPesticides; Alpha sort; C; CAlphabetic; Growth regulators; Insecticides; Pesticides & Metabolites. This chemical's molecular formula is C₂₀H₉Cl₃F₅N₃O₃ and molecular weight is 540.65. What's more, its systematic name is N-[(3,5-Dichloro-4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)carbamoyl]-2,6-difluorobenzamide. Its classification codes are: (1)Agricultural Chemical; (2)Growth regulator / Fertilizer; (3)Human Data; (4)Insecticide. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and light. This chemical is chitin synthesis inhibitor. It has high insecticidal activity, which is an efficient, low toxicity, and environmental compatibility.

Physical properties of Chlorfluazuron are: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.43; (4)ACD/LogD (pH 7.4): 5.34; (5)ACD/BCF (pH 5.5): 7862.87; (6)ACD/BCF (pH 7.4): 6400.31; (7)ACD/KOC (pH 5.5): 21364.18; (8)ACD/KOC (pH 7.4): 17390.25; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 80.32 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 113.273 cm³; (15)Molar Volume: 332.339 cm³; (16)Polarizability: 44.905×10^-24cm³; (17)Surface Tension: 50.07 dyne/cm; (18)Density: 1.627 g/cm³.

Preparation: 2, 6-dichlorobenzonitrile reacts with H₂O in the present of sulfuric acid as catalyst. Then the compound reacts with phosgene to produce 2,6-Difluorobenzoyl isocyanate. Finally, it reacts with 4-(3-chloro-5-trifluoromethylpyridine-2-oxygen)-3, 5-dichloroaniline, then Chlorfluazuron is got.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc3cc(Cl)c(Oc2ncc(cc2Cl)C(F)(F)F)c(Cl)c3
(2)Std. InChI: InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)
(3)Std. InChIKey: UISUNVFOGSJSKD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
duck	LD50	oral	> 2510mg/kg (2510mg/kg)		Japan Pesticide Information. Vol. (53), Pg. 32, 1988.
man	TDLo	oral	1429uL/kg (1.429mL/kg)	BEHAVIORAL: COMA CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) VASCULAR: SHOCK	Japanese Journal of Toxicology. Vol. 7, Pg. 51, 1994.
mouse	LD50	oral	350mg/kg (350mg/kg)		Toksikologicheskii Vestnik. Vol. (4), Pg. 33, 2000.
quail	LD50	oral	> 2510mg/kg (2510mg/kg)		Japan Pesticide Information. Vol. (53), Pg. 32, 1988.
rat	LC50	inhalation	590mg/m³(590mg/m³)		Toksikologicheskii Vestnik. Vol. (4), Pg. 33, 2000.
rat	LD50	oral	445mg/kg (445mg/kg)		Toksikologicheskii Vestnik. Vol. (4), Pg. 33, 2000.
rat	LD50	skin	720mg/kg (720mg/kg)		Toksikologicheskii Vestnik. Vol. (4), Pg. 33, 2000.