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CAS No 88671-89-0 , 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

  • Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
  • Synonyms: MYCLOBUTANIL; Nova W; Systhane 6 Flo; Nova (pesticide); 88671-89-0; (+-)-Myclobutanil; Systhane Technical;2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; Rally; Systhane;
  • CAS Registry Number:
  • Transport: UN 3077
  • Density: 1.16 g/cm3
  • Refractive index: 1.588
  • Safety Statements: R22,R36,R51/53,R63,
  • Hazard Symbols: Xn:Harmful;N:Dangerousfortheenvironment;
  • EINECS: 410-400-0
  • Molecular Weight: 288.77528
  • InchiKey: HZJKXKUJVSEEFU-UHFFFAOYSA-N
  • InChI: InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,
    10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
  • Risk Statements: S36/37,S46,S61,
  • Molecular Formula: C15H17ClN4
  • Molecular Structure:CAS No:88671-89-0 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

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References of 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Title: Myclobutanil
CAS Registry Number: 88671-89-0
CAS Name: a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
Synonyms: 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
Manufacturers' Codes: RH-3866
Trademarks: Eagle (Dow AgroSci.); Laredo (Dow AgroSci.); Nova (Dow AgroSci.); Rally (Dow AgroSci.); Systhane (Dow AgroSci.)
Molecular Formula: C15H17ClN4
Molecular Weight: 288.78
Percent Composition: C 62.39%, H 5.93%, Cl 12.28%, N 19.40%
Literature References: Broad spectrum systemic triazole fungicide; ergosterol-biosynthesis inhibitor. Prepn: T. T. Fujimoto, EP 145294 (1985 to Rohm & Haas), C.A. 103, 160519z (1985). Physical properties and field trials: C. Orpin et al., Proc. Br. Crop Prot. Conf. - Pests Dis. 1986, 55; A. Perrot, Def. Veg. 40, 9 (1986). Antifungal activity: J. A. Quinn et al., Pestic. Sci. 17, 357 (1986).
Properties: Light yellow crystals, mp 63-68°. bp1.0 202-208°. Vapor pressure at 25°: 1.6 ′ 10-6 Torr. Soly at 25°: water 142 ppm. Sol in common organic solvents such as ketones, esters, alcohols, aromatic hydrocarbons. Insol in aliphatic hydrocarbons. LD50 in male, female rats (mg/kg): 1600, 2229 orally; LD50 in rabbits (mg/kg): 7500 dermally (Orpin).
Melting point: mp 63-68°
Boiling point: bp1.0 202-208°
Toxicity data: LD50 in male, female rats (mg/kg): 1600, 2229 orally; LD50 in rabbits (mg/kg): 7500 dermally (Orpin)
Use: Agricultural fungicide.