4-[(4-CHLORO-2-PYRIMIDINYL)AMINO]BENZONITRILE Structure

4-[(4-CHLORO-2-PYRIMIDINYL)AMINO]BENZONITRILE

Chemical Properties

Melting point 210 °C(dec.)
Boiling point 441.0±51.0 °C(Predicted)
Density  1.39±0.1 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Methanol
form  Solid
pka 2.15±0.10(Predicted)
color  Cream
InChI InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)
InChIKey QXCHAADSAYQDHL-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(NC2=NC=CC(Cl)=N2)C=C1
LogP 2.8 at pH7

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302+H312+H332-H315-H319
Precautionary statements P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
HS Code  2933599590
NFPA 704:
0
2 0

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