2,3,6-TRIFLUOROPHENYLACETONITRILE
Catalog No: FT-0609487
CAS No: 114152-21-5
- Molecular Formula: 171.12
- Formula Weight: C8H4F3N
- Inchl Key: PQIFHBOOYBTJLD-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 41-43 °C(lit.) |
|---|---|
| CAS: | 114152-21-5 |
| MF: | C8H4F3N |
| Flash_Point: | 80.3±25.9 °C |
| Product_Name: | 2,3,6-Trifluorobenzyl cyanide |
| Density: | 1.3±0.1 g/cm3 |
| FW: | 171.119 |
| Bolling_Point: | 209.2±35.0 °C at 760 mmHg |
| Refractive_Index: | 1.469 |
|---|---|
| Vapor_Pressure: | 0.2±0.4 mmHg at 25°C |
| Flash_Point: | 80.3±25.9 °C |
| LogP: | 1.62 |
| Bolling_Point: | 209.2±35.0 °C at 760 mmHg |
| FW: | 171.119 |
| PSA: | 23.79000 |
| Computational_Chemistry: | ['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :198 ', '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: | 41-43 °C(lit.) |
| MF: | C8H4F3N |
| Exact_Mass: | 171.029587 |
| Molecular_Structure: | ['1. Molar refractive index 3569 ', '2. Molar volume 1282 ', '3. Parachor （902K）3135 ', '4. Surface tension 357 ', '5. Dielectric constant N/A ', '6. Polarizability 1415 ', '7. Single isotope mass 171029584 Da ', '8. Nominal mass 171 Da ', '9. Average mass 1711193 Da'] |
| Density: | 1.3±0.1 g/cm3 |
| RIDADR: | 3276 |
|---|---|
| Hazard_Codes: | T: Toxic; |
| HS_Code: | 2926909090 |
| Risk_Statements(EU): | R20/21/22 |
| Safety_Statements: | S26-S36/37/39 |
