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Clothianidin

  • Name Clothianidin
  • EINECSN/A
  • CAS No. 210880-92-5
  • Density1.61 g/cm3
  • PSA123.37000
  • LogP1.95820
  • Solubility327 mg/L at 20 °C in water
  • Melting Point178.8 °C
  • FormulaC6H8ClN5O2S
  • Boiling Point435.2°C at 760 mmHg
  • Molecular Weight249.681
  • Flash Point217°C
  • Transport InformationN/A
  • Appearancewhite to beige-brownish powder or needles
  • Safety46-60-61
  • Risk Codes22-50/53
  • Molecular Structure
    Molecular Structure of 210880-92-5 (Clothianidin)
  • Hazard SymbolsXn,N
  • SynonymsXn,N
  • Article Data19

Clothianidin Specification

The Clothianidin is an organic compound with the formula C6H8ClN5O2S. The IUPAC name of this chemical is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine. With the CAS registry number 210880-92-5, it is also named as ((E)-1-(2-chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine). Besides, it is an insecticide, which should be stored at temperature of 0 - 6 °C.

Physical properties about Clothianidin are: (1)ACD/LogP: 0.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 19.68; (5)ACD/KOC (pH 7.4): 19.69; (6)#H bond acceptors: 7; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 105.79 Å2; (10)Index of Refraction: 1.709; (11)Molar Refractivity: 57.74 cm3; (12)Molar Volume: 147.8 cm3; (13)Polarizability: 22.89×10-24cm3; (14)Surface Tension: 69.2 dyne/cm; (15)Density: 1.68 g/cm3; (16)Flash Point: 217 °C; (17)Enthalpy of Vaporization: 69.14 kJ/mol; (18)Boiling Point: 435.2 °C at 760 mmHg; (19)Vapour Pressure: 8.93E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncc(s1)CN/C(=N/C)N[N+]([O-])=O
(2)InChI: InChI=1/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
(3)InChIKey: PGOOBECODWQEAB-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
(5)Std. InChIKey: PGOOBECODWQEAB-UHFFFAOYSA-N

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