2-ETHYLPHENYL ISOTHIOCYANATE
Catalog No: FT-0612287
CAS No: 19241-19-1
- Chemical Name: 2-ETHYLPHENYL ISOTHIOCYANATE
- Molecular Formula: C9H9NS
- Molecular Weight: 163.24
- InChI Key: OVAFDUCMHLFDIG-UHFFFAOYSA-N
- InChI: InChI=1S/C9H9NS/c1-2-8-5-3-4-6-9(8)10-7-11/h3-6H,2H2,1H3
| 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: | N/A |
|---|---|
| CAS: | 19241-19-1 |
| MF: | C9H9NS |
| Flash_Point: | >230 °F |
| Product_Name: | 1-ethyl-2-isothiocyanatobenzene |
| Density: | 1.076 g/mL at 25 °C(lit.) |
| FW: | 163.23900 |
| Bolling_Point: | 249-253 °C(lit.) |
| Refractive_Index: | n20/D 1.62(lit.) |
|---|---|
| Vapor_Pressure: | 0.0155mmHg at 25°C |
| Flash_Point: | >230 °F |
| LogP: | 2.98330 |
| Bolling_Point: | 249-253 °C(lit.) |
| FW: | 163.23900 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1. XlogP :41 ', '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 :161 ', '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 |
| Molecular_Structure: | ['1 . Molar refractive index 5148 ', '2 . Molar volume (m3/mol)1604 ', '3 . Parachor (902K)3805 ', '4 . Surface tension 316 ', '5 . Polarizability 2040'] |
| Density: | 1.076 g/mL at 25 °C(lit.) |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Density(g/mL,25/4℃)1076 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)249-253°C(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'] |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| RIDADR: | 2811 |
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2930909090 |
| Safety_Statements: | S26-S36 |
| Packing_Group: | III |
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