4-ETHYLPHENYL ISOTHIOCYANATE
Catalog No: FT-0618416
CAS No: 18856-63-8
- Molecular Formula: 163.24
- Formula Weight: C9H9NS
- Inchl Key: XXLWCGRHJFEMQH-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9NS/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 245 °C(lit.) |
|---|---|
| CAS: | 18856-63-8 |
| MF: | C9H9NS |
| Melting_Point: | N/A |
| Symbol: | Danger |
| Density: | 1.075 g/mL at 25 °C(lit.) |
| FW: | 163.23900 |
| Product_Name: | 1-ethyl-4-isothiocyanatobenzene |
| Flash_Point: | >230 °F |
| Bolling_Point: | 245 °C(lit.) |
|---|---|
| LogP: | 2.98330 |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）1075 (lit) ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）245 (lit) ', '6 . Boiling point（ºC, 52kPa）不确定 ', '7 . Refractive indexn 20/D 162(lit) ', '8 . Flash point（ºF）>230 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
| 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'] |
| Vapor_Pressure: | 0.0229mmHg at 25°C |
| Exact_Mass: | 163.04600 |
| MF: | C9H9NS |
| Density: | 1.075 g/mL at 25 °C(lit.) |
| Refractive_Index: | n20/D 1.62(lit.) |
| PSA: | 44.45000 |
| Flash_Point: | >230 °F |
| Molecular_Structure: | ['1 . Molar refractive index 5166 ', '2 . Molar volume （m3/mol）1613 ', '3 . Parachor （902K）3880 ', '4 . Surface tension 334 ', '5 . Polarizability 2048'] |
| FW: | 163.23900 |
| Safety_Statements: | H314 |
|---|---|
| RIDADR: | UN 3265 8/PG 3 |
| WGK_Germany: | 3 |
| Hazard_Codes: | C: Corrosive; |
| HS_Code: | 2930909090 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| Symbol: | Danger |
| Personal_Protective_Equipment: | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard_Class: | 8 |
| Packing_Group: | III |
| Warning_Statement: | P280-P305 + P351 + P338-P310 |
