2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE
Catalog No: FT-0612745
CAS No: 76041-72-0
- Molecular Formula: 179.17
- Formula Weight: C6H4F3NS
- Inchl Key: YFSCXLSUZZXNHW-UHFFFAOYSA-N
- Inchl: InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(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: | 76041-72-0 |
| Flash_Point: | 77.3±27.3 °C |
| Product_Name: | 5-(trifluoromethyl)pyridine-2-thiol |
| Bolling_Point: | 204.2±40.0 °C at 760 mmHg |
| FW: | 179.163 |
| Melting_Point: | 154-159 °C(lit.) |
| MF: | C6H4F3NS |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.494 |
|---|---|
| Vapor_Pressure: | 0.4±0.4 mmHg at 25°C |
| Flash_Point: | 77.3±27.3 °C |
| LogP: | 2.95 |
| Bolling_Point: | 204.2±40.0 °C at 760 mmHg |
| FW: | 179.163 |
| PSA: | 51.69000 |
| Computational_Chemistry: | ['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 441 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :239 ', '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: | 154-159 °C(lit.) |
| MF: | C6H4F3NS |
| Exact_Mass: | 179.001648 |
| Molecular_Structure: | ['1 . Molar refractive index 3749 ', '2 . Molar volume 1287 ', '3 . Parachor （902K）3071 ', '4 . Surface tension 323 ', '5 . Polarizability 1486 ', '6 . Dielectric constant 未确定'] |
| Density: | 1.4±0.1 g/cm3 |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R20/21/22 |
| HS_Code: | 2933399090 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xn:Harmful; |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
