4-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Catalog No: FT-0616823
CAS No: 15863-41-9
- Molecular Formula: 181.3
- Formula Weight: C8H7NS2
- Inchl Key: CEBAJHCAFXYWNT-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,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 |
| Symbol: | GHS06 |
|---|---|
| CAS: | 15863-41-9 |
| Flash_Point: | >230 |
| Product_Name: | 4-(methylthio)phenyl isothiocyanate |
| Bolling_Point: | 127-128ºC1 mm Hg(lit.) |
| FW: | 181.27800 |
| Melting_Point: | 54-58ºC(lit.) |
| MF: | C8H7NS2 |
| Density: | 1.13 g/cm3 |
| Refractive_Index: | 1.586 |
|---|---|
| Vapor_Pressure: | 1.32E-08mmHg at 25°C |
| Flash_Point: | >230 |
| LogP: | 3.14280 |
| Bolling_Point: | 127-128ºC1 mm Hg(lit.) |
| PSA: | 69.75000 |
| Molecular_Structure: | ['分子性质数据 ', '1 . Molar refractive index 5486 ', '2 . Molar volume （m3/mol）1597 ', '3 . Parachor （902K）3989 ', '4 . Surface tension 389 ', '5 . Polarizability 2175'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '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 698 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :156 ', '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: | 54-58ºC(lit.) |
| MF: | C8H7NS2 |
| Exact_Mass: | 181.00200 |
| FW: | 181.27800 |
| Density: | 1.13 g/cm3 |
| More_Info: | ['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）54-58 ', '5. Boiling point（ºC,Atmospheric pressure）127-128 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）>230 ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）Unknow ', '13. Combustion heat（KJ/mol）Unknow ', '14. Critical temperature（ºC）Unknow ', '15. Critical pressure（KPa）Unknow ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17. Upper limit of explosion（%,V/V）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow'] |
| Symbol: | GHS06 |
|---|---|
| RIDADR: | UN 3261 8/PG 2 |
| HS_Code: | 2930909090 |
| Packing_Group: | II |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R34 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard_Codes: | C |
| Warning_Statement: | P280-P301 + P310 + P330-P305 + P351 + P338-P337 + P313 |
| Safety_Statements: | H301-H315-H319 |
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