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  • Thiacloprid
Name:Thiacloprid
CAS No:111988-49-9

PRODUCT DESCRIPTION

【Name】
Thiacloprid
【CAS Registry number】
111988-49-9;111388-49-9
【Synonyms】
3-(6-chloro-3-pyridinylmethyl)-1,3-thiazolidin-2-ylidenecyanamide
Thiaclopyrid
(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide
{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
{(2E)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
【Molecular Formula】
C10H9ClN4S (Products with the same molecular formula)
【Molecular Weight】
252.7233
【Inchi】
InChI=1/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10+
【Canonical SMILES】
C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl

Chemical and Physical Properties

【Density】
1.424g/cm3
【Melting Point】
136 deg C
【Boiling Point】
423.069°C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.691
【Flash Point】
209.665°C
【Solubilities】
In water, 185 mg/L at 20 deg C
【Color/Form】
Crystals from ether
【Computed Properties】
Molecular Weight:252.72326 [g/mol]
Molecular Formula:C10H9ClN4S
XLogP3-AA:2.2
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:252.023645
MonoIsotopic Mass:252.023645
Topological Polar Surface Area:77.6
Heavy Atom Count:16
Formal Charge:0
Complexity:324
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:2
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2.8
Conformer Sampling RMSD:0.6
CID Conformer Count:16

Safety and Handling

【Formulations/Preparations】
Granule, flowable concentrate, water dispersible granules.
Tradenames: Bariard; Calypso; Alanto.
【Octanol/Water Partition Coefficient】
log Kow = 1.26 at 20 deg C
【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.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 4,700(SRC), determined from a structure estimation method(2), indicates that thiacloprid is expected to have slight mobility in soil(SRC). Volatilization of thiacloprid from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.1X10-14 atm-cu m/mole(SRC), based upon its vapor pressure, 6.0X10-12 mm Hg(3), and water solubility, 185 mg/L(3). Thiacloprid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). A half-life in soil ranging from 0.6 to 3.8 days indicates that biodegradation may be an important environmental fate process in soil(3).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 4,700(SRC), determined from a structure estimation method(2), indicates that thiacloprid is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.1X10-14 atm-cu m/mole(SRC), derived from its vapor pressure, 6.0X10-12 mm Hg(4), and water solubility, 185 mg/L(4). According to a classification scheme(5), an estimated BCF of 2(SRC), from its log Kow of 1.26(4) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The aquatic aerobic half-life for thiacloprid ranges from 10-63 days(4).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), thiacloprid, which has a measured vapor pressure of 6.0X10-12 mm Hg at 20 deg C(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Insufficient data are available to predict the relative importance or the rate of photolysis.

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