2,3,4-TRIFLUOROPHENYL ISOTHIOCYANATE
Catalog No: FT-0642917
CAS No: 119474-40-7
- Chemical Name: 2,3,4-TRIFLUOROPHENYL ISOTHIOCYANATE
- Molecular Formula: C7H2F3NS
- Molecular Weight: 189.16
- InChI Key: KTNHZGZWGZUKGE-UHFFFAOYSA-N
- InChI: InChI=1S/C7H2F3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
| 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: | 1,2,3-trifluoro-4-isothiocyanatobenzene |
|---|---|
| Flash_Point: | 104ºC |
| Melting_Point: | N/A |
| FW: | 189.15800 |
| Density: | 1.43 g/mL at 25ºC(lit.) |
| CAS: | 119474-40-7 |
| Bolling_Point: | 210-213ºC(lit.) |
| MF: | C7H2F3NS |
| LogP: | 2.83820 |
|---|---|
| Flash_Point: | 104ºC |
| Refractive_Index: | n20/D 1.577(lit.) |
| FW: | 189.15800 |
| Density: | 1.43 g/mL at 25ºC(lit.) |
| Bolling_Point: | 210-213ºC(lit.) |
| Computational_Chemistry: | ['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :205 ', '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'] |
| PSA: | 44.45000 |
| MF: | C7H2F3NS |
| More_Info: | ['1 . Appearance Liquid ', '2 . Density(g/mL,25ºC)143 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC)210-213 ', '6 . Boiling point(ºC,01mmHg)Unknow ', '7 . Refractive indexn 20/D 1577(lit) ', '8 . Flash point(°C)1044 ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,110ºC)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'] |
| Vapor_Pressure: | 0.0797mmHg at 25°C |
| Exact_Mass: | 188.98600 |
| Hazard_Codes: | C: Corrosive; |
|---|---|
| RIDADR: | UN 1760 8/PG 2 |
| Risk_Statements(EU): | R34 |
| HS_Code: | 2930909090 |
| Safety_Statements: | 26-27-36/37/39-45 |
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