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Substance Name: Triadimenol, threo-
RN: 70585-37-4
UNII: 8K00O8K07F
InChIKey: BAZVSMNPJJMILC-OLZOCXBDSA-N

Molecular Weight

  • 295.7682
 
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Names and Synonyms

Name of Substance

  • Triadimenol, threo-

Synonyms

  • (1RR,2SS)-Triadimenol
  • 1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
  • 1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (R*,R*)-
  • threo-Triadimenol
  • Triadimenol B
  • Triadimenol II
  • UNII-8K00O8K07F

Registry Numbers

CAS Registry Number

  • 70585-37-4

FDA UNII

  • 8K00O8K07F

Other Registry Numbers

  • 72650-41-0
  • 82200-72-4

System Generated Number

  • 0070585374

Structure Descriptors

InChI

1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1

InChIKey

BAZVSMNPJJMILC-OLZOCXBDSA-N

Smiles

CC(C)(C)[C@@H]([C@@H](n1cncn1)Oc2ccc(cc2)Cl)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 133.5 deg C   EXP
log P (octanol-water) 3.28 (none)   EXP
Water Solubility 33 mg/L 20 EXP
Vapor Pressure 3.00E-09 mm Hg 20 EXP
Henry's Law Constant 3.54E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.18E-11 cm3/molecule-sec 25 EST

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