50593-92-5
| Name | 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid |
| CAS | 50593-92-5 |
| Molecular Formula | C6H5BrN2O2S |
| MDL Number | MFCD00238866 |
| Molecular Weight | 249.09 |
| MOL File | 50593-92-5.mol |
Chemical Properties
| Melting point | 158-162 °C (dec.) |
| Boiling point | 414.5±30.0 °C(Predicted) |
| density | 1.91±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | solid |
| pka | 1.31±0.10(Predicted) |
| Appearance | Light yellow to brown Solid |
| Detection Methods | HPLC |
| InChI | InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11) |
| InChIKey | YJEWVVYJOJJLBP-UHFFFAOYSA-N |
| SMILES | C1(SC)=NC=C(Br)C(C(O)=O)=N1 |
| CAS DataBase Reference | 50593-92-5(CAS DataBase Reference) |
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 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29335990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
