2088771-61-1

Name (R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
CAS 2088771-61-1
Molecular Formula C16H13F6N5O2
MDL Number MFCD32669788
Molecular Weight 421.3
MOL File 2088771-61-1.mol
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Chemical Properties

Melting point  >189°C (dec.)
density  1.67±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 12.02±0.40(Predicted)
color  White to Off-White
Major Application pharmaceutical small molecule
InChI InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)/t8-/m1/s1
InChIKey CJUCSNDPMOGZTM-MRVPVSSYSA-N
SMILES N1[C@H](CC2=CC(F)=C(F)C=C2F)CC(=O)NCCN2C(C(F)(F)F)=NN=C2C1=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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