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Penconazole Structure

Penconazole

Chemical Properties

Melting point 58.5 °C
Boiling point 436.06°C (rough estimate)
Density  1.2556 (rough estimate)
vapor pressure  3.7 x l0-4 Pa (25 °C)
refractive index  1.6300 (estimate)
Flash point 100 °C
storage temp.  0-6°C
solubility  DMSO: 100 mg/mL (351.89 mM)
pka 2.80±0.10(Predicted)
form  Solid
Water Solubility  73 mg l-1 (25 °C)
color  White
ex/em λex 514 nm; λem 526 nm
BRN  541488
Henry's Law Constant 6.9×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application agriculture
environmental
InChI 1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
InChIKey WKBPZYKAUNRMKP-UHFFFAOYSA-N
SMILES CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl
LogP 3.660 (est)
CAS DataBase Reference 66246-88-6(CAS DataBase Reference)
EPA Substance Registry System Penconazole (66246-88-6)

Safety Information

Safety Statements  22-24/25
RIDADR  UN 3077 9 / PGIII
WGK Germany  2
RTECS  XZ4615000
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 2
Toxicity LD50 skn-rat: >3 g/kg DOVEAA 38,195,84

Usage And Synthesis

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