Simeconazole
Title: Simeconazole
CAS Registry Number: 149508-90-7
CAS Name: a-(4-Fluorophenyl)-a-[(trimethylsilyl)methyl]-1H-1,2,4-triazole-1-ethanol
Additional Names: 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
Manufacturers' Codes: F-155
Trademarks: Mongarit (Sankyo); Sanlit (Sankyo)
Molecular Formula: C14H20FN3OSi
Molecular Weight: 293.41
Percent Composition: C 57.31%, H 6.87%, F 6.48%, N 14.32%, O 5.45%, Si 9.57%
Literature References: Broad spectrum triazole fungicide for use in food crops and turf; sterol demethylation inhibitor (DMI). Prepn: J. Tobitsuka et al., EP 537957; eidem, US 5306712 (1993, 1994 both to Sankyo); H. Itoh et al., Chem. Pharm. Bull. 48, 1148 (2000). Comprehensive description: M. Tsuda et al., Brighton Crop Prot. Conf. - Pests Dis. 2000, 557. Systemic activity in plants: M. Tsuda et al., Pest Manage. Sci. 60, 881 (2004); and comparison with other DMI fungicides: eidem, ibid, 875. Pharmacokinetics in rodents: K. Wakabayashi et al., J. Pestic. Sci. 30, 90 (2005).
Properties: Colorless crystals from diisopropyl ether, mp 118-119°. Log P (n-octanol/water): 3.2. Vapor pressure at 25°: 5.4 ´ 10-5 Pa. Soly in water (20°): 57.5 mg/l. LD50 in male, female rats (mg/kg): 611, 682 orally (Tsuda).
Melting point: mp 118-119°
Log P: Log P (n-octanol/water): 3.2
Toxicity data: LD50 in male, female rats (mg/kg): 611, 682 orally (Tsuda)
Use: Agricultural fungicide.

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