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26661-13-2

Name N4-Benzoylcytosine
CAS 26661-13-2
EINECS(EC#) 628-907-2
Molecular Formula C11H9N3O2
MDL Number MFCD00239434
Molecular Weight 215.21
MOL File 26661-13-2.mol

Chemical Properties

Melting point  >300 °C (dec.) (lit.)
density  1.33±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Aqueous Acid (Slightly, Heated), DMSO+DCl (Slightly, Heated)
form  Solid
pka 7.75±0.10(Predicted)
color  Off-White
InChI InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)
InChIKey XBDUZBHKKUFFRH-UHFFFAOYSA-N
SMILES C(NC1=CC=NC(=O)N1)(=O)C1=CC=CC=C1
Surface tension 72.2mN/m at 1g/L and 21.2℃
CAS DataBase Reference 26661-13-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R20/22:Harmful by inhalation and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29335990

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