Product Name

  • Name

    Admire

  • EINECS 200-835-2
  • CAS No. 105827-78-9
  • Article Data28
  • CAS DataBase
  • Density 1.59 g/cm3
  • Solubility 0.061 g/100mL at 20℃
  • Melting Point 136-144 °C
  • Formula C9H10ClN5O2
  • Boiling Point 442.3 °C at 760 mmHg
  • Molecular Weight 255.664
  • Flash Point 221.3 °C
  • Transport Information
  • Appearance Colorless crystals.
  • Safety
  • Risk Codes  N:Dangerous for the enviro
  • Molecular Structure Molecular Structure of 105827-78-9 (Admire)
  • Hazard Symbols
  • 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;
  • PSA 86.34000
  • LogP 0.97550

Admire 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.

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