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ISOCAFFEINE Structure

ISOCAFFEINE

Chemical Properties

Melting point 288-290°C (dec.)
Boiling point 416.8±37.0 °C(Predicted)
Density  1.45±0.1 g/cm3(Predicted)
storage temp.  Room temp
solubility  H2O: >20mg/mL
form  solid
pka 0.74±0.70(Predicted)
color  White to Off-White
BRN  196140
Major Application (Pharmaceutical small molecule)
FDA UNII N4HG7T2QGW
UNSPSC Code 41106305
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P330-P501
WGK Germany  3
F  10-23
Storage Class 11 - Combustible Solids

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