CAS No 79983-71-4 , 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol

Title: Hexaconazole
CAS Registry Number: 79983-71-4
CAS Name: a-Butyl-a-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
Synonyms: (RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Manufacturers' Codes: PP-523; ICIA-0523
Trademarks: Anvil (Syngenta); Planete (Zeneca)
Molecular Formula: C14H17Cl2N3O
Molecular Weight: 314.21
Percent Composition: C 53.52%, H 5.45%, Cl 22.57%, N 13.37%, O 5.09%
Literature References: Ergosterol biosynthesis inhibitor. Prepn: H. K. Spencer, BE 886128 (1981 to Sandoz); and resolution of isomers: P. A. Worthington, Pestic. Sci. 31, 457 (1991). Properties and fungicidal activity in vines and food crops: M. C. Shephard et al., Proc. Br. Crop Prot. Conf. - Pests Dis. 1986, 19. Review of analytical methods: K. J. Harradine et al. in Comprehensive Analytical Profiles of Important Pesticides, J. Sherma, T. Cairns, Eds. (CRC Press, Boca Raton, 1993) pp 43-57.
Properties: White crystalline solid, mp 111°. d25 1.29. Log P (octanol/water): -3.9 at 20°. Vapor pressure (20°): 2 ′ 10-8 kPa. Soly at 20° (g/l): water 0.017; methanol 246; acetone 164; toluene 59; hexane 0.8. LD50 orally in mallard ducks, male rats, female rats: >4000, 2189, 6071 mg/kg; dermally in rats: >2000 mg/kg. LC50 (96 hour) in rainbow trout: >6.7 mg/l (Shephard).
Melting point: mp 111°
Log P: Log P (octanol/water): -3.9 at 20°
Density: d25 1.29
Toxicity data: LD50 orally in mallard ducks, male rats, female rats: >4000, 2189, 6071 mg/kg; dermally in rats: >2000 mg/kg; LC50 (96 hour) in rainbow trout: >6.7 mg/l (Shephard)
Use: Agricultural fungicide.