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698-29-3

Name 4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE
CAS 698-29-3
EINECS(EC#) 211-814-2
Molecular Formula C6H6N4
MDL Number MFCD00084875
Molecular Weight 134.14
MOL File 698-29-3.mol
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Chemical Properties

Appearance Pale-Yellow Crystalline Solid
Melting point  249 °C
Boiling point  315.6±27.0 °C(Predicted)
density  1.27±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  DMSO, Ethanol, Methanol
form  Powder
pka 3.00±0.10(Predicted)
color  Pale yellow
Water Solubility  Slightly soluble in water (6.4 g/L at 25°C). Soluble in dimethyl sulfoxide, ethanol and methanol.
InChI InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)
InChIKey YBPNIILOUYAGIF-UHFFFAOYSA-N
SMILES C1(C)=NC=C(C#N)C(N)=N1
CAS DataBase Reference 698-29-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
Hazard Note  Irritant
HazardClass  6.1
HazardClass  IRRITANT
HS Code  2933599590

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