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Ancymidol Structure

Ancymidol

Chemical Properties

Melting point 110-111°C
Boiling point 399.55°C (rough estimate)
Density  1.1055 (rough estimate)
refractive index  1.6280 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 12.62±0.29(Predicted)
color  White to Off-White
Water Solubility  0.65g/L(25 ºC)
λmax 272nm(lit.)
Henry's Law Constant 9.1×105 mol/(m3Pa) at 25℃, Keshavarz et al. (2022)
Major Application agriculture
InChI InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
InChIKey HUTDUHSNJYTCAR-UHFFFAOYSA-N
SMILES C(O)(C1C=NC=NC=1)(C1C=CC(OC)=CC=1)C1CC1
CAS DataBase Reference 12771-68-5(CAS DataBase Reference)
NIST Chemistry Reference Ancymidol(12771-68-5)
EPA Substance Registry System Ancymidol (12771-68-5)

Safety Information

Safety Statements  22-24/25
WGK Germany  3
RTECS  UV9280000
HS Code  2933599590
Storage Class 11 - Combustible Solids
Toxicity LD50 in rats, mice (mg/kg): 4500, 5000 orally (Snel, Gramlich)

MSDS

Usage And Synthesis

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