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| CAS No.: | 71422-67-8 |
|---|---|
| Name: | Chlorfluazuron |
| Molecular Structure: | |
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| 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. |