3680-71-5

Name Pyrrolo[2,3-d]pyrimidin-4-ol
CAS 3680-71-5
EINECS(EC#) 640-613-6
Molecular Formula C6H5N3O
MDL Number MFCD01686814
Molecular Weight 135.12
MOL File 3680-71-5.mol

Chemical Properties

Appearance Colourless Crystalline Solid
Melting point  345-348°C
Boiling point  473.1±18.0 °C(Predicted)
density  1.62±0.1 g/cm3(Predicted)
RTECS  UY9440000
storage temp.  2-8°C
solubility  Soluble in dimethyl sulfoxide.
form  Solid
pka 11.99±0.20(Predicted)
color  Brown
Sensitive  Moisture & Light Sensitive
InChI InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKey FBMZEITWVNHWJW-UHFFFAOYSA-N
SMILES C1NC(=O)C2C=CNC=2N=1
CAS DataBase Reference 3680-71-5(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317-H319
Precautionary statements  P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  29335990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Sens. 1

Hazard Information

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