CAS No.111988-49-9,Thiacloprid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111988-49-9
Name:	Thiacloprid
Article Data:	8

Formula:	C₁₀H₉ClN₄S
Molecular Weight:	252.727
Synonyms:	Cyanamide,[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-, [N(Z)]- (9CI);Bariard;Biscaya;Calypso;Calypso (pesticide);Calypso 70WG;Calypso Ultra;
Density:	1.42 g/cm³
Melting Point:	136oC
Boiling Point:	423.1 °C at 760 mmHg
Flash Point:	209.7 °C
Solubility:	185mg/L (20°C) in water
Appearance:	yellowish crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/22-52/53
Safety:	60
Transport Information:	2588
PSA:	77.58000
LogP:	2.05878

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Specification

The IUPAC name of (3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide is [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide. With the CAS registry number 111988-49-9, it is also named as Thiacloprid [ISO:BSI]. It is yellowish crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.47; (8)ACD/KOC (pH 7.4): 47.47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 67.92 cm³; (14)Molar Volume: 177.4 cm³; (15)Polarizability: 26.92×10^-24 cm³; (16)Surface Tension: 58.1 dyne/cm; (17)Enthalpy of Vaporization: 67.73 kJ/mol; (18)Vapour Pressure: 2.3E-07 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 252.023645; (21)MonoIsotopic Mass: 252.023645; (22)Topological Polar Surface Area: 77.6; (23)Heavy Atom Count: 16; (24)Complexity: 324.

Preparation of (3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide: Adding 2.0g N-(2-chloro-5-pyridylmethyl)-cysteamine and 1.3g dimethyl cyanodithioimidoacrbonate to 50mL ethanol. Under nitrogen atmosphere, the mixture stirs and refluxs 8h. After the reaction, vacuum distillation to remove about 2 / 3 ethanol, standing at room temperature for product crystallization. After filtration, washing with ether and drying, we can get the product.

Uses of (3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide: It is broad-spectrum and systemic insecticide which is mainly used to control most of the pests for rice, fruits, vegetables and cotton.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation and if swallowed, but also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ncc(cc1)CN2C(=N\C#N)\SCC2
2. 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-
3. InChIKey:HOKKPVIRMVDYPB-UVTDQMKNBC

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	1223mg/m³/4H (1223mg/m³)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	National Technical Information Service. Vol. OTS0559691,
rat	LD50	oral	444mg/kg (444mg/kg)	BEHAVIORAL: TREMOR GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0559690,