112559-91-8

Name HYDROXY ITRACONAZOLE
CAS 112559-91-8
Molecular Formula C35H40Cl2N8O4
MDL Number MFCD00871966
Molecular Weight 707.65
MOL File 112559-91-8.mol

Chemical Properties

Appearance Off-White Crystalline Solid
Melting point  76-78°C
Boiling point  884.7±75.0 °C(Predicted)
density  1.44±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
pka 14.72±0.20(Predicted)
color  White to Pale Beige
Major Application clinical testing
InChIKey ISJVOEOJQLKSJU-UHFFFAOYSA-N
SMILES Clc1c(ccc(c1)Cl)C3(OC(CO3)COc4ccc(cc4)N5CCN(CC5)c6ccc(cc6)N7C=NN(C7=O)C(C(O)C)C)C[n]2ncnc2

Safety Data

WGK Germany  WGK 1
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1

Hazard Information

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