27314-97-2
| Name | 3-AMINO-1,2,4-BENZOTRIAZINE-1,4-DIOXIDE |
| CAS | 27314-97-2 |
| EINECS(EC#) | 636-678-5 |
| Molecular Formula | C7H6N4O2 |
| MDL Number | MFCD00132954 |
| Molecular Weight | 178.15 |
| MOL File | 27314-97-2.mol |
Chemical Properties
| Appearance | Orange Needles |
| Melting point | 220°C dec. |
| Boiling point | 493.6±28.0 °C(Predicted) |
| density | 1.68±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble10mg/mL, clear |
| form | powder |
| pka | 1.51±0.30(Predicted) |
| color | orange to dark orange-red |
| InChI | InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9) |
| InChIKey | ORYDPOVDJJZGHQ-UHFFFAOYSA-N |
| SMILES | [N+]1([O-])C2=CC=CC=C2[N+]([O-])=C(N)N=1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | DM0671500 |
| HS Code | 2933.99.7500 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |