4531-54-8

Name 1H-Imidazol-5-amine,1-methyl-4-nitro-(9CI)
CAS 4531-54-8
Molecular Formula C4H6N4O2
MDL Number MFCD00516996
Molecular Weight 142.12
MOL File 4531-54-8.mol

Chemical Properties

Melting point  >288°C (dec.)
Boiling point  435.0±25.0 °C(Predicted)
density  1.67±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  DMSO (Slightly, Heated), Methanol (Very Slightly, Heated)
form  neat
pka 1.07±0.61(Predicted)
color  Light Yellow to Light Green
Major Application pharmaceutical small molecule
InChI InChI=1S/C4H6N4O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,5H2,1H3
InChIKey GJVMTMXQJDQJSS-UHFFFAOYSA-N
SMILES C1N(C)C(N)=C([N+]([O-])=O)N=1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
WGK Germany  WGK 3
HS Code  2933997500
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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