314771-76-1

Name (S)-N4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diaMine
CAS 314771-76-1
EINECS(EC#) 1312995-182-4
Molecular Formula C18H16ClFN4O2
MDL Number MFCD18642925
Molecular Weight 374.8
MOL File 314771-76-1.mol

Chemical Properties

Boiling point  559.0±50.0 °C(Predicted)
density  1.473±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated, Heated)
form  Solid
pka 5.89±0.30(Predicted)
color  Light Yellow to Light Beige
Optical Rotation Consistent with structure
InChI InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1
InChIKey BIQABKFYKJRXII-NSHDSACASA-N
SMILES N1=C2C(C=C(N)C(O[C@H]3CCOC3)=C2)=C(NC2=CC=C(F)C(Cl)=C2)N=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P261-P280-P305+P351+P338

Hazard Information

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