5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
Catalog No: FT-0600991
CAS No: 61727-33-1
- Chemical Name: 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
- Molecular Formula: C6H5ClN2O2S
- Molecular Weight: 204.63
- InChI Key: SEPCYCDQJZTPHO-UHFFFAOYSA-N
- InChI: InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 204.634 |
| Density: | 1.6±0.1 g/cm3 |
| CAS: | 61727-33-1 |
| Bolling_Point: | 396.4±22.0 °C at 760 mmHg |
| Product_Name: | 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid |
| Melting_Point: | 204-205ºC |
| Flash_Point: | 193.5±22.3 °C |
| MF: | C6H5ClN2O2S |
| LogP: | 2.19 |
|---|---|
| Flash_Point: | 193.5±22.3 °C |
| Refractive_Index: | 1.638 |
| FW: | 204.634 |
| Density: | 1.6±0.1 g/cm3 |
| Bolling_Point: | 396.4±22.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :15 ', '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: | 204-205ºC |
| PSA: | 88.38000 |
| Exact_Mass: | 203.976028 |
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| MF: | C6H5ClN2O2S |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| Risk_Statements(EU): | R36/37/38 |
| Safety_Statements: | S26-S37/39 |
| Symbol: | Warning |
| Warning_Statement: | P261-P305 + P351 + P338 |
| RIDADR: | NONH for all modes of transport |
| HS_Code: | 2933599090 |
| WGK_Germany: | 3 |
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