36778-15-1

Name 3-Isothiazolecarboxylic acid, 5-nitro-
CAS 36778-15-1
Molecular Formula C4H2N2O4S
Molecular Weight 174.13
MOL File 36778-15-1.mol

Chemical Properties

Boiling point  253.8±38.0 °C(Predicted)
density  1.804±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 2.76±0.10(Predicted)
InChI InChI=1S/C4H2N2O4S/c7-4(8)2-1-3(6(9)10)11-5-2/h1H,(H,7,8)
InChIKey VYNSNKZEWKFVJN-UHFFFAOYSA-N
SMILES S1C([N+]([O-])=O)=CC(C(O)=O)=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

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