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
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H332-H315-H319-H335 |
| Precautionary statements | P261-P264-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| REACH Registrations | Active |
| HS Code | 29335990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
