5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
Catalog No: FT-0648896
CAS No: 50593-92-5
- Molecular Formula: 249.09
- Formula Weight: C6H5BrN2O2S
- Inchl Key: YJEWVVYJOJJLBP-UHFFFAOYSA-N
- Inchl: InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS07 |
|---|---|
| CAS: | 50593-92-5 |
| Flash_Point: | 204.5±24.6 °C |
| Product_Name: | 5-Bromo-2-(methylsulfanyl)-4-pyrimidine-carboxylic acid |
| Bolling_Point: | 414.5±30.0 °C at 760 mmHg |
| FW: | 249.085 |
| Melting_Point: | 158-162 °C (dec.) |
| MF: | C6H5BrN2O2S |
| Density: | 1.9±0.1 g/cm3 |
| Refractive_Index: | 1.677 |
|---|---|
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| Flash_Point: | 204.5±24.6 °C |
| LogP: | 2.30 |
| Bolling_Point: | 414.5±30.0 °C at 760 mmHg |
| FW: | 249.085 |
| PSA: | 88.38000 |
| Computational_Chemistry: | ['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 884 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 158-162 °C (dec.) |
| MF: | C6H5BrN2O2S |
| Exact_Mass: | 247.925507 |
| Molecular_Structure: | ['1 . Molar refractive index 4898 ', '2 . Molar volume 1300 ', '3 . Parachor （902K）3986 ', '4 . Surface tension 882 ', '5 . Polarizability 1941'] |
| Density: | 1.9±0.1 g/cm3 |
| More_Info: | ['1 . Melting point（ºC）158~162'] |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2933599090 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xi:Irritant; |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
