72835-26-8

Name MIRA-1
CAS 72835-26-8
Molecular Formula C8H9NO4
MDL Number MFCD12828765
Molecular Weight 183.16
MOL File 72835-26-8.mol
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Chemical Properties

Melting point  44 °C
Boiling point  298.2±23.0 °C(Predicted)
density  1.307±0.06 g/cm3(Predicted)
storage temp.  Store at +4°C
solubility  Soluble to 100 mM in DMSO and to 100 mM in ethanol
form  Powder
pka -2.79±0.20(Predicted)
color  White to light yellow
InChI 1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3
InChIKey YXEWPGYLMHXLPS-UHFFFAOYSA-N
SMILES N1(C(=O)C=CC1=O)COC(=O)CC

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
WGK Germany  WGK 2
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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