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Substance Name: Bitertanol [BSI:ISO]
RN: 55179-31-2
UNII: GR7Z3Z59G9
InChIKey: VGPIBGGRCVEHQZ-UHFFFAOYSA-N

Note

  • A triazole fungicide.

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C20-H23-N3-O2

Molecular Weight

  • 337.421
 
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Names and Synonyms

Results Name

  • Bitertanol [BSI:ISO]

Name of Substance

  • Bitertanol
  • Bitertanol [BSI:ISO]

Synonyms

  • 1-(4-Phenylphenoxy)-1-(1,2,4-triazole-1)-3,3-dimethylbutan-2-ol
  • 5-26-01-00134 (Beilstein Handbook Reference)
  • Bay KWG 0599
  • Baycor
  • Baycor 25 WP
  • Baymat-spray
  • beta-((1,1'-Biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
  • Biloxazol
  • Bitertanol
  • BRN 0620948
  • EINECS 259-513-5
  • KWG 0599
  • Sibutol
  • UNII-GR7Z3Z59G9

Systematic Names

  • 1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-
  • beta-((1,1'-Biphenyl)-4-yloxy)-alpha-tert-butyl-1H-1,2,4-triazol-1-ethanol

Registry Numbers

CAS Registry Number

  • 55179-31-2

FDA UNII

  • GR7Z3Z59G9

System Generated Number

  • 0055179312

Structure Descriptors

InChI

1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3

InChIKey

VGPIBGGRCVEHQZ-UHFFFAOYSA-N

Smiles

c1cc(c2ccccc2)ccc1O[C@@H]([C@@H](O)C(C)(C)C)n1ncnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 86, 1991.
mouse LD50 oral 4200mg/kg (4200mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A039, Pg. 1983,
mouse LDLo subcutaneous 5gm/kg (5000mg/kg) BEHAVIORAL: SLEEP

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0555457,
quail LD50 unreported > 1gm/kg (1000mg/kg)   Defense des Vegetaux. Vol. 37, Pg. 206, 1983.
rat LC50 inhalation > 717mg/m3/1H (717mg/m3)   Defense des Vegetaux. Vol. 37, Pg. 206, 1983.
rat LD50 intraperitoneal 725mg/kg (725mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SLEEP

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0555457,
rat LD50 oral > 5gm/kg (5000mg/kg)   Defense des Vegetaux. Vol. 37, Pg. 206, 1983.
rat LD50 skin > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 86, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127 deg C   EXP
log P (octanol-water) 4.16 (none)   EXP
Water Solubility 5 mg/L 20 EXP
Henry's Law Constant 1.63E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.43E-11 cm3/molecule-sec 25 EST

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