41808-35-9

Name 5-Amino-3-methyl-isothiazole-4-carbonitrile
CAS 41808-35-9
Molecular Formula C5H5N3S
MDL Number MFCD03422694
Molecular Weight 139.18
MOL File 41808-35-9.mol
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Chemical Properties

Melting point  202 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
Boiling point  198.6±40.0 °C(Predicted)
density  1.35±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,2-8°C
form  solid
pka 5.00±0.50(Predicted)
color  Off-white
InChI InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey PJQFZPWSFDVYIF-UHFFFAOYSA-N
SMILES S1C(N)=C(C#N)C(C)=N1

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301+H311+H331
Precautionary statements  P261-P280-P301+P310-P311
HS Code  2934208090

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