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 |
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
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H312-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 1 |
| Hazard Note | Irritant |
| REACH Registrations | Active |
| HazardClass | 6.1 |
| HazardClass | IRRITANT |
| HS Code | 2933599590 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |