4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)-pyrimidine
Catalog No: FT-0680576
CAS No: 16097-63-5
- Chemical Name: 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)-pyrimidine
- Molecular Formula: C6H4ClF3N2S
- Molecular Weight: 228.62
- InChI Key: GOORQLLDZBAQIW-UHFFFAOYSA-N
- InChI: InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
| 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 |
| Melting_Point: | N/A |
|---|---|
| CAS: | 16097-63-5 |
| MF: | C6H4ClF3N2S |
| Flash_Point: | 97.6±25.9 °C |
| Product_Name: | 4-Chloro-2-(Methylsulfanyl)-6-(Trifluoromethyl)Pyrimidine |
| Density: | 1.5±0.1 g/cm3 |
| FW: | 228.623 |
| Bolling_Point: | 237.8±35.0 °C at 760 mmHg |
| Refractive_Index: | 1.511 |
|---|---|
| Vapor_Pressure: | 0.1±0.5 mmHg at 25°C |
| Flash_Point: | 97.6±25.9 °C |
| LogP: | 2.98 |
| Bolling_Point: | 237.8±35.0 °C at 760 mmHg |
| FW: | 228.623 |
| PSA: | 51.08000 |
| Computational_Chemistry: | ['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 511 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :178 ', '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'] |
| MF: | C6H4ClF3N2S |
| Exact_Mass: | 227.973587 |
| Molecular_Structure: | ['1 . Molar refractive index 4480 ', '2 . Molar volume 1495 ', '3 . Parachor （902K）3862 ', '4 . Surface tension 445 ', '5 . Polarizability 1776'] |
| Density: | 1.5±0.1 g/cm3 |
| More_Info: | ['1. Boiling point（93000mmHg,ºC）84'] |
| Safety_Statements: | 26-36/37/39 |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2933599090 |
| Risk_Statements(EU): | R36/37/38 |
