4-tert-Butylphenyl-acetonitrile
Catalog No: FT-0602573
CAS No: 3288-99-1
- Molecular Formula: 173.25
- Formula Weight: C12H15N
- Inchl Key: QKJPXROEIJPNHG-UHFFFAOYSA-N
- Inchl: InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3
| 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: | N/A |
|---|---|
| CAS: | 3288-99-1 |
| MF: | C12H15N |
| Flash_Point: | 120.4±5.1 °C |
| Product_Name: | 2-(4-(tert-Butyl)phenyl)acetonitrile |
| Density: | 0.9±0.1 g/cm3 |
| FW: | 173.254 |
| Bolling_Point: | 270.9±9.0 °C at 760 mmHg |
| Refractive_Index: | 1.505 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| MF: | C12H15N |
| Flash_Point: | 120.4±5.1 °C |
| LogP: | 3.14 |
| FW: | 173.254 |
| Density: | 0.9±0.1 g/cm3 |
| PSA: | 23.79000 |
| Bolling_Point: | 270.9±9.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA :238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :195 ', '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'] |
| Exact_Mass: | 173.120453 |
| RIDADR: | UN 3276 |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2926909090 |
| Risk_Statements(EU): | R20/21/22 |
| Safety_Statements: | 26-36/37/39 |
