137234-63-0

Name ent-Voriconazole
CAS 137234-63-0
Molecular Formula C16H14F3N5O
Molecular Weight 349.31
MOL File 137234-63-0.mol

Chemical Properties

Melting point  130-132°C
Boiling point  508.6±60.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  neat
pka 11.54±0.29(Predicted)
Major Application pharmaceutical (small molecule)
InChI InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/s3
InChIKey BCEHBSKCWLPMDN-OHNRHGLTNA-N
SMILES C([n]1ncnc1)[C@@](O)(c1ccc(F)cc1F)[C@@H](C)c1c(F)cncn1 |&1:6,16,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  2933997500
Storage Class 11 - Combustible Solids

Hazard Information

Supplier