128640-74-4
| Name | 4-CHLORO-6-(4-METHYLPHENYL)-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE |
| CAS | 128640-74-4 |
| Molecular Formula | C13H10ClN3S |
| MDL Number | MFCD00975766 |
| Molecular Weight | 275.76 |
| MOL File | 128640-74-4.mol |
Chemical Properties
| Melting point | 150 °C(Solv: acetone (67-64-1)) |
| Boiling point | 475.2±45.0 °C(Predicted) |
| density | 1.35±0.1 g/cm3(Predicted) |
| form | solid |
| pka | -3.66±0.41(Predicted) |
| InChI | 1S/C13H10ClN3S/c1-8-3-5-9(6-4-8)11-10(7-15)12(14)17-13(16-11)18-2/h3-6H,1-2H3 |
| InChIKey | ASPBFSRVAPVCDU-UHFFFAOYSA-N |
| SMILES | N#CC1=C(C2=CC=C(C)C=C2)N=C(SC)N=C1Cl |
Safety Data
| Symbol(GHS) |   GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H301-H318 |
| Precautionary statements | P280-P301+P330+P331+P310-P305+P351+P338+P310 |
| RIDADR | UN3439 |
| WGK Germany | WGK 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Dam. 1 |