99451-55-5

Name 8-Bromo-5-(methylthio)[1,2,4]triazolo[4,3-c]pyrimidine
CAS 99451-55-5
Molecular Formula C6H5BrN4S
MDL Number MFCD28502491
Molecular Weight 245.1
MOL File 99451-55-5.mol
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Chemical Properties

density  1.98±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
form  crystals
pka -1.63±0.30(Predicted)
color  Light yellow
InChI InChI=1S/C6H5BrN4S/c1-12-6-8-2-4(7)5-10-9-3-11(5)6/h2-3H,1H3
InChIKey PYXSQRIHTWWWIN-UHFFFAOYSA-N
SMILES C1(SC)=NC=C(Br)C2=NN=CN12

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  2933599590

Spectrum Detail

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