2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE
Catalog No: FT-0609629
CAS No: 141492-50-4
- Chemical Name: 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE
- Molecular Formula: C9H7NO2S
- Molecular Weight: 193.22
- InChI Key: KALNNFRLHRAJNK-UHFFFAOYSA-N
- InChI: InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2
| 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 |
| Product_Name: | 6-isothiocyanato-2,3-dihydro-1,4-benzodioxine |
|---|---|
| Flash_Point: | 152.9ºC |
| Melting_Point: | 62-64ºC |
| FW: | 193.22200 |
| Density: | 1.31g/cm3 |
| CAS: | 141492-50-4 |
| Bolling_Point: | 329.2ºC at 760mmHg |
| MF: | C9H7NO2S |
| Molecular_Structure: | ['1 . Molar refractive index 5208 ', '2 . Molar volume 1467 ', '3 . Parachor (902K)3791 ', '4 . Surface tension 445 ', '5 . Polarizability 2064'] |
|---|---|
| LogP: | 2.19210 |
| Flash_Point: | 152.9ºC |
| Refractive_Index: | 1.627 |
| FW: | 193.22200 |
| Density: | 1.31g/cm3 |
| Bolling_Point: | 329.2ºC at 760mmHg |
| 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 :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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: | 62-64ºC |
| PSA: | 62.91000 |
| MF: | C9H7NO2S |
| Vapor_Pressure: | 0.000345mmHg at 25°C |
| Exact_Mass: | 193.02000 |
| Hazard_Codes: | Xi |
|---|---|
| RIDADR: | UN 2923 |
| Risk_Statements(EU): | R20/21/22 |
| HS_Code: | 2932999099 |
| Safety_Statements: | 26-36/37/39-45 |
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