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CAS No 111988-49-9 , [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

  • Name: [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
  • Synonyms: CHEBI:39176; 111988-49-9;[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide; HSDB 7268; Calypso 70WG;Calypso; Thiacloprid [ISO:BSI];
  • CAS Registry Number:
  • Transport: 2588
  • Density: 1.42 g/cm3
  • Refractive index: 1.691
  • Safety Statements: A poison by intraperitoneal route. Moderately toxic by ingestion and inhalation. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
  • Hazard Symbols: Moderately toxic by ingestion and inhalation. A reproductive hazard.
  • Molecular Weight: 252.72326
  • InchiKey: HOKKPVIRMVDYPB-UHFFFAOYSA-N
  • InChI: InChI=1S/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
  • Risk Statements: 20/22-52/53
  • Molecular Formula: C10H9ClN4S
  • Molecular Structure:CAS No:111988-49-9 [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

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References of [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
Title: Thiacloprid
CAS Registry Number: 111988-49-9
CAS Name: [3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide
Synonyms: 1-(2-chloro-5-pyridylmethyl)-2-cyanoiminothiazolidine
Trademarks: Calypso (Bayer CropSci.)
Molecular Formula: C10H9ClN4S
Molecular Weight: 252.72
Percent Composition: C 47.53%, H 3.59%, Cl 14.03%, N 22.17%, S 12.69%
Literature References: Chloronicotinyl insecticide for use in fruits and vegetables. Prepn: K. Shiokawa et al., EP 235725; eidem, US 4849432 (1987, 1989 both to Nihon Tokushu Noyaku Seizo KK). LC-MS determn in fruits and vegetables: D. Zywitz et al., Deutsche Lebens.-Rundschau 99, 188 (2003). Review of properties and bioactivity: A. Elbert et al., Brighton Crop Prot. Conf. - Pests Dis. 2000, 21-26.
Properties: Crystals from ether, mp 128-129°. Remaining data is for Z-form: yellowish powder. Vapor pressure (20°): 3 ′ 10-10 Pa. Soly in water (20°): 185 mg/l. Log P (octanol/water): 1.26. LD50 in male, female rats (mg/kg): 836, 444 orally; >2000, >2000 dermally. LC50 (4 hr) in male, female rats (mg/m3): >2535, 1223. LC50 (96 hr) in rainbow trout (mg/l): 30.5 (Elbert).
Melting point: mp 128-129°
Log P: Log P (octanol/water): 1.26
Toxicity data: LD50 in male, female rats (mg/kg): 836, 444 orally; >2000, >2000 dermally; LC50 (4 hr) in male, female rats (mg/m3): >2535, 1223; LC50 (96 hr) in rainbow trout (mg/l): 30.5 (Elbert)
Use: Insecticide.