12771-68-5

Name Ancymidol
CAS 12771-68-5
EINECS(EC#) 235-814-7
Molecular Formula C15H16N2O2
MDL Number MFCD00072501
Molecular Weight 256.3
MOL File 12771-68-5.mol

Chemical Properties

Appearance Ancymidol is a white to buff colored crystalline or granular solid. Slightly aromatic odor.
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.)
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 12771-68-5(EPA Substance)

Safety Data

Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  UV9280000
HS Code  2933599590
Toxicity
LD50 in rats, mice (mg/kg): 4500, 5000 orally (Snel, Gramlich)

Hazard Information

Material Safety Data Sheet(MSDS)

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