3,4-METHYLENEDIOXYPHENYL ISOTHIOCYANATE
Catalog No: FT-0606547
CAS No: 113504-93-1
- Chemical Name: 3,4-METHYLENEDIOXYPHENYL ISOTHIOCYANATE
- Molecular Formula: C8H5NO2S
- Molecular Weight: 179.2
- InChI Key: UVVSPZKAEJHDCY-UHFFFAOYSA-N
- InChI: InChI=1S/C8H5NO2S/c12-4-9-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 57ºC |
|---|---|
| CAS: | 113504-93-1 |
| MF: | C8H5NO2S |
| Flash_Point: | 142ºC |
| Product_Name: | 3,4-Methylenedioxyphenyl isothiocyanate |
| Density: | 1.37 g/cm3 |
| FW: | 179.19600 |
| Bolling_Point: | 311.2ºC at 760 mmHg |
| Refractive_Index: | 1.646 |
|---|---|
| Vapor_Pressure: | 0.00104mmHg at 25°C |
| Flash_Point: | 142ºC |
| LogP: | 2.14960 |
| Bolling_Point: | 311.2ºC at 760 mmHg |
| FW: | 179.19600 |
| PSA: | 62.91000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '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 :629 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :215 ', '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: | 57ºC |
| MF: | C8H5NO2S |
| Exact_Mass: | 179.00400 |
| Density: | 1.37 g/cm3 |
| RIDADR: | UN 2811 |
|---|---|
| Hazard_Codes: | T: Toxic;Xi: Irritant; |
| HS_Code: | 2932999099 |
| Risk_Statements(EU): | R20/21/22 |
| Safety_Statements: | 26-36/37/39 |
