4-(Methylphenyl)sulfonylacetonitrile
Catalog No: FT-0635810
CAS No: 5697-44-9
- Molecular Formula: 195.24
- Formula Weight: C9H9NO2S
- Inchl Key: BBNNLJMGPASZPD-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| FW: | 195.238 |
|---|---|
| CAS: | 5697-44-9 |
| Melting_Point: | 147-151 °C |
| Bolling_Point: | 400.9±45.0 °C at 760 mmHg |
| MF: | C9H9NO2S |
| Product_Name: | 4-(Methylphenyl)sulfonylacetonitrile |
| Flash_Point: | 196.3±28.7 °C |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 195.238 |
|---|---|
| MF: | C9H9NO2S |
| Flash_Point: | 196.3±28.7 °C |
| Refractive_Index: | 1.540 |
| Bolling_Point: | 400.9±45.0 °C at 760 mmHg |
| Exact_Mass: | 195.035400 |
| PSA: | 66.31000 |
| Computational_Chemistry: | ['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 663 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :298 ', '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'] |
| Vapor_Pressure: | 0.0±0.9 mmHg at 25°C |
| LogP: | 0.77 |
| Melting_Point: | 147-151 °C |
| Density: | 1.2±0.1 g/cm3 |
| HS_Code: | 2926909090 |
|---|---|
| Safety_Statements: | S36/37 |
| RIDADR: | 3276 |
| Risk_Statements(EU): | R20/21/22 |
| Hazard_Codes: | Xn:Harmful; |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
