2036-13-7
| Name | 6-CYANOPURINE |
| CAS | 2036-13-7 |
| EINECS(EC#) | 218-005-3 |
| Molecular Formula | C6H3N5 |
| MDL Number | MFCD00005569 |
| Molecular Weight | 145.12 |
| MOL File | 2036-13-7.mol |
Chemical Properties
| Melting point | 186-189 °C (lit.) |
| Boiling point | 248.4±50.0 °C(Predicted) |
| density | 1.65±0.1 g/cm3(Predicted) |
| form | powder |
| pka | 6.93±0.20(Predicted) |
| InChI | 1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11) |
| InChIKey | NHYQQYMSESLQDX-UHFFFAOYSA-N |
| SMILES | N#Cc1ncnc2nc[nH]c12 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | UO7518000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |