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Substance Name: Myclobutanil [ANSI:BSI:ISO]
RN: 88671-89-0
UNII: B6T1JTM6KZ
InChIKey: HZJKXKUJVSEEFU-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C15-H17-Cl-N4

Molecular Weight

  • 288.7803
 

Names and Synonyms

Results Name

  • Myclobutanil [ANSI:BSI:ISO]

Name of Substance

  • Myclobutanil
  • Myclobutanil [ANSI:BSI:ISO]

Synonyms

  • (+-)-Myclobutanil
  • 2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
  • 2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
  • alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • Caswell No. 723K
  • EPA Pesticide Chemical Code 128857
  • HOE 39304F
  • HSDB 6708
  • Myclobutanil
  • Nova (pesticide)
  • Nova W
  • Nu-Flow M
  • Rally
  • RH 3866
  • Synthane 12E
  • Systhane
  • Systhane 6 Flo
  • UNII-B6T1JTM6KZ

Systematic Name

  • 1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)-

Superlist Names

  • alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • Myclobutanil

Registry Numbers

CAS Registry Number

  • 88671-89-0

FDA UNII

  • B6T1JTM6KZ

Other Registry Numbers

  • 154144-93-1
  • 205862-69-7
  • 96281-50-4

System Generated Number

  • 0088671890

Structure Descriptors

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

InChIKey

HZJKXKUJVSEEFU-UHFFFAOYSA-N

Smiles

CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1300mg/kg (1300mg/kg) BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): OTHER GLANDS: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0570641,
rabbit LD50 skin 7500mg/kg (7500mg/kg)   Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 55, 1986.
rat LC50 inhalation > 5gm/m3 (5000mg/m3)   Farm Chemicals Handbook. Vol. -, Pg. C291, 1991.
rat LD50 oral 1600mg/kg (1600mg/kg)   Pesticide Manual. Vol. 9, Pg. 601, 1991.
rat LDLo skin 2229mg/kg (2229mg/kg)   Defense des Vegetaux. Vol. 40(242), Pg. 9, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 65.5 deg C   EXP
log P (octanol-water) 2.94 (none)   EXP
Water Solubility 142 mg/L 25 EXP
Vapor Pressure 1.60E-06 mm Hg 25 EXP
Atmospheric OH Rate Constant 7.04E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.