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Your Location：Home>Product Center >> Pesticide API and intermediates >> Clothianidin
  • Clothianidin
Name:Clothianidin
CAS No:205510-53-8
CAS No:210880-92-5

PRODUCT DESCRIPTION

【Name】
Clothianidin
【CAS Registry number】
210880-92-5;205510-53-8
【Synonyms】
(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine
1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine 
guanidine,N-[(2-chloro-5-thiazoly1)methyl~-N-methyl-N-nitro
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-nitro-guanidine
【Molecular Formula】
C6H8ClN5O2S (Products with the same molecular formula)
【Molecular Weight】
249.7
【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)
【Canonical SMILES】
CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]
【MOL File】
210880-92-5;205510-53-8.mol

Chemical and Physical Properties

【Density】
1.61
【Melting Point】
178.8℃
【Boiling Point】
435.2°C at 760 mmHg
【Vapour】
8.93E-08mmHg at 25°C
【Refractive Index】
1.709
【Flash Point】
217°C
【Water】
327 mg/L at 20℃
【Solubilities】
Solubility in water: 0.304 (pH 4), 0.340 (pH 10) (both g/L, 20 deg C). In heptane less than 0.00104, xylene 0.0128, dichloromethane 1.32, methanol 6.26, octanol 0.938, acetone 15.2, ethyl acetate 2.03 (all in g/L, 25 deg C)
In water, 327 mg/L at 20 deg C
【Color/Form】
Colorless powder
【Computed Properties】
Molecular Weight:249.67802 [g/mol]
Molecular Formula:C6H8ClN5O2S
XLogP3-AA:1.2
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:249.008723
MonoIsotopic Mass:249.008723
Topological Polar Surface Area:123
Heavy Atom Count:15
Formal Charge:0
Complexity:258
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:325

Safety and Handling

【Formulations/Preparations】
Types of formulations: 96% technical product, 48% flowable concentrate end-use product.
Trade names: Clutch, Poncho, Dantotsu, Fullswing
【Octanol/Water Partition Coefficient】
log Kow = 0.7 at 25 deg
【Disposal Methods】
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
Of the administered radioactivity /in mice/, 98.7-99.2% was recovered. Readily absorbed and excreted within 168 hours following a single oral dose of 5 mg/kg bw.
Overall recovery /in rats/: 95-100%. Readily absorbed and excreted within 96 hours following a single 2.5 mg/kg bw or repeated oral dose of 25 mg/kg bw, but at a dose of 250 mg/kg, absorption became biphasic and was saturated.
In a standard metabolism study with gavage dosing of CD rats using suspensions in aq. 0.5% tragacanth ? The majority of tests employed nitroimino-14C label or thiazolyl-2-14C in clothianidin (purity of the a.i. 99.8%: radiopurity of both labeled materials > 99%). ? /Nitroimino-14C labeled/ clothianidin (2.5 mg/kg) was well absorbed, based on findings of 89% to 95% radioactivity in urine, compared to 6-9% in feces of males and 3% in feces of females, at 72 hr after oral dosing. This was consistent with autoradiography studies, which showed rapid perfusion into the body, followed by rapid clearance. By 72 hr, highest remaining organ concentrations were in the liver, at less than 1% of levels in liver during the first few hours. Relating to the rapid excretion observed, there was no compelling evidence of a sex effect, a high dose effect, nor of an effect of repeated dosing.
Absorption, distribution, excretion, and metabolism of clothianidin [(E)-1-(2-chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine] were investigated after a single oral administration of [nitroimino-(14)C]- or [thiazolyl-2-(14)C]clothianidin to male and female rats at a dose of 5 mg/kg bw (low dose) or 250 mg/kg bw (high dose). The maximum concentration of carbon-14 in blood occurred 2 hr after administration of the low oral dose for both labeled clothianidins, and then the concentration of carbon-14 in blood decreased with a half-life of 2.9-4.0 hr. The orally administered carbon-14 was rapidly and extensively distributed to all tissues and organs within 2 hr after administration, especially to the kidney and liver, but was rapidly and almost completely eliminated from all tissues and organs with no evidence of accumulation. The orally administered carbon-14 was almost completely excreted into urine and feces within 2 days after administration, and approximately 90% of the administered dose was excreted via urine. The major compound in excreta was clothianidin, accounting for >60% of the administered dose. The major metabolic reactions of clothianidin in rats were oxidative demethylation to form N-(2-chlorothiazol-5-ylmethyl)-N'-nitroguanidine and the cleavage of the carbon-nitrogen bond between the thiazolylmethyl moiety and the nitroguanidine moiety. The part of the molecule containing the nitroguanidine moiety was transformed mainly to N-methyl-N'-nitroguanidine, whereas the thiazol moiety was further metabolized to 2-(methylthio)thiazole-5-carboxylic acid. ...The rates of biokinetics, excretion, distribution, and metabolism of clothianidin were not markedly influenced by dose level and sex. [Yokota T et al; J Agric Food Chem 51 (24): 7066-72 (2003)] PubMed Abstract

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a log Kow of 0.7(2) and a regression-derived equation(3), indicates that clothianidin is expected to have high mobility in soil(SRC). Volatilization of clothianidin from moist soil surfaces is not expected to be an important fate process(SRC) given a Henry's Law constant of 2.9X10-16 atm-cu m/mole(2). Clothianidin is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.8X10-10 mm Hg(2). A photolysis half-life on soil of 34 days has been reported(4). Biodegradation is not expected to be an important environmental fate process in soil based on a reported half-life range of 148 to 1,555 days(4).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a log Kow of 0.7(2) and a regression-derived equation(3), indicates that clothianidin is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon a Henry's Law constant of 2.9X10-16 atm-cu m/mole(2). According to a classification scheme(4), an estimated BCF of 0.3(SRC), from a measured log Kow(2) and a regression-derived equation(5), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Clothianidin is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). This compound is expected to undergo direct photolysis based on an aqueous photolysis half-life of less than 1 day(6). The aquatic anaerobic biodegradation half-life of clothianidin was measuredr as 27 days(4).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), clothianidin, which has a vapor pressure of 9.8X10-10 mm Hg at 25 deg C(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase clothianidin may be removed from the air by wet and dry deposition(SRC).

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