4-METHYLBENZYL ISOTHIOCYANATE
Catalog No: FT-0605832
CAS No: 3694-46-0
- Molecular Formula: 163.24
- Formula Weight: C9H9NS
- Inchl Key: OAXIUBJXQISJEV-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | N/A |
|---|---|
| CAS: | 3694-46-0 |
| MF: | C9H9NS |
| Flash_Point: | 97°C/1mm |
| Product_Name: | 4-methylbenzyl isothiocyanate |
| Density: | 1.08 |
| FW: | 163.23900 |
| Bolling_Point: | 97 °C |
| Refractive_Index: | 1.5890 |
|---|---|
| Flash_Point: | 97°C/1mm |
| LogP: | 2.59780 |
| Bolling_Point: | 97 °C |
| FW: | 163.23900 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :153 ', '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: | C9H9NS |
| Exact_Mass: | 163.04600 |
| Density: | 1.08 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
|---|---|
| RTECS: | NX8860000 |
| RIDADR: | 2810 |
| Safety_Statements: | S26-S36/37/39 |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
