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CAS No.: | 83121-18-0 |
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Name: | Teflubenzuron |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C14H6Cl2F4N2O2 |
Molecular Weight: | 381.113 |
Synonyms: | AC291898;CME 134;CME 13406;Calicide;HOE 522;MK 139;Nomolt;Nomolt agro;OMS 3009;Tefluron;N-[(3,5-Dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide;1-(3,5-Dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)urea; |
Density: | 1.646 g/cm3 |
Melting Point: | 221-224° |
Solubility: | 66 g/L in dimethyl sulfoxide, 20 g/L in cyclohexanone, 10 g/L in acetone, 1.4 g/L in ethanol, 850 mg/L in toluene, 50 mg/L in hexane, 0.02 mg/L in water at the temperature of 20 - 23 °C |
Appearance: | white crystal |
Transport Information: | UN 3077 |
PSA: | 58.20000 |
LogP: | 4.97560 |
The Teflubenzuron, with the CAS registry number 83121-18-0, is also known as 1-(3,5-Dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)urea. It belongs to the product categories of Alpha sort; Growth regulators Pesticides & Metabolites; Insecticides; Pesticides; Q-ZAlphabetic; TA - TE. This chemical's molecular formula is C14H6Cl2F4N2O2 and molecular weight is 381.11. What's more, its systematic name is N-[(3,5-Dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide. Its classification codes are: (1)Insecticide; (2)Agricultural Chemical. This chemical is a kind of insect growth regulators. It is effective against development of house fly larvae. It should be sealed and stored in a cool, ventilated and dry place.
Physical properties of Teflubenzuron are: (1)ACD/LogP: 5.017; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 3743.06; (6)ACD/BCF (pH 7.4): 1399.99; (7)ACD/KOC (pH 5.5): 12491.05; (8)ACD/KOC (pH 7.4): 4671.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 78.851 cm3; (15)Molar Volume: 231.487 cm3; (16)Polarizability: 31.259×10-24cm3; (17)Surface Tension: 51.44 dyne/cm; (18)Density: 1.646 g/cm3.
Preparation: this chemical can be prepared by 2,6-Difluorobenzamide and 2, 4-difluoro-3, 5-dichlorophenylisocyanate. It can also be prepared by 2,6-Difluorobenzoyl isocyanate and 2,4-difluoro-3, 5-dichloroaniline at the room temperature. This reaction will need solvent toluene with the reaction time of 15 hours.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(F)c(Cl)c1F)NC(=O)NC(=O)c2c(F)cccc2F
(2)Std. InChI: InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
(3)Std. InChIKey: CJDWRQLODFKPEL-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 18, Pg. S15, 1993. | |
rat | LC50 | inhalation | > 5038mg/m3/4H (5038mg/m3) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 18, Pg. S15, 1993. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 790, 1991. | |
rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 790, 1991. |