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| CAS No.: | 105827-78-9 |
|---|---|
| Name: | Admire |
| Molecular Structure: | |
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| Formula: | C9H10ClN5O2 |
| Molecular Weight: | 255.664 |
| Synonyms: | 1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine;4,5-dihydro-1-((6-chloro-3-pyridinyl)methyl)-n-nitro-1h-imidazol-2-amin;1-((6-Chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro-imidazol-2-amine;1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro-1H-imidazol-2-amine;Admire(Bayer,Miles);Confidor(Bayer);Gaucho(Bayer;Miles);1-((6-Chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro-imidazol-2-amine;Confidor;Gaucho;Imidacloprid;NTN33823;1-（6-chloro-3-pyridylmethyl)-N-nitroimidazolidin-2-ylideneamine; |
| EINECS: | 200-835-2 |
| Density: | 1.59 g/cm3 |
| Melting Point: | 136-144 °C |
| Boiling Point: | 442.3 °C at 760 mmHg |
| Flash Point: | 221.3 °C |
| Solubility: | 0.061 g/100mL at 20℃ |
| Appearance: | Colorless crystals. |
| Risk Codes: | N:Dangerous for the enviro">
 N:Dangerous for the enviro
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| PSA: | 86.34000 |
| LogP: | 0.97550 |
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Specification
The Admire, with the CAS registry number 105827-78-9, has the IUPAC name of N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide. It belongs to the product category of Pesticide. And the molecular formula of the chemical is C9H10ClN5O2.
The physical properties of Admire are as followings: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.54; (8)ACD/KOC (pH 7.4): 4.5; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.55 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 62.3 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 24.69×10-24cm3; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.59 g/cm3; (19)Flash Point: 221.3 °C; (20)Enthalpy of Vaporization: 69.98 kJ/mol; (21)Boiling Point: 442.3 °C at 760 mmHg; (22)Vapour Pressure: 5.07E-08 mmHg at 25°C.
Preparation and uses of Admire: It can be prepared by N-(2-chloro-5-pyridylmethyl) ethylene diamine and CNBr in the presence of solvent toluene. Then add the cyclization product obtained to the concentrated sulfuric acid with a low temperature, and drop fuming nitric acid into it with the temperature of 0°C. The reaction time is 2 hours, then you can get the Admire. What's more, it is one of the neonicotinoid insecticides, and always used in pesticide for controlling those pest with sucking mouth parts.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)NC/1=N/CCN\1Cc2cnc(Cl)cc2
(2)InChI: InChI=1/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
(3)InChIKey: YWTYJOPNNQFBPC-UHFFFAOYAZ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 35mg/kg (35mg/kg) | Pesticide Biochemistry and Physiology. Vol. 58, Pg. 77, 1997. | |
| mouse | LD50 | oral | 98mg/kg (98mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S209, 1994. | |
| rat | LC50 | inhalation | > 5323mg/m3 (5323mg/m3) | Agrochemcicals Japan. Vol. (63), Pg. 15, 1993. | |
| rat | LD50 | oral | 410mg/kg (410mg/kg) | Agrochemcicals Japan. Vol. (63), Pg. 15, 1993. | |
| rat | LD50 | skin | > 5gm/kg (5000mg/kg) | Agrochemcicals Japan. Vol. (63), Pg. 15, 1993. |