4-(TRIFLUOROMETHYLTHIO)BENZYL BROMIDE
Catalog No: FT-0616954
CAS No: 21101-63-3
- Molecular Formula: 271.1
- Formula Weight: C8H6BrF3S
- Inchl Key: VAYGJBCOCRVROJ-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6BrF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
| 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: | 115-118°C 13mm |
|---|---|
| CAS: | 21101-63-3 |
| MF: | C8H6BrF3S |
| Melting_Point: | 53-57 °C(lit.) |
| Symbol: | Danger |
| Density: | 1.646g/cm3 |
| FW: | 271.09700 |
| Product_Name: | 4-Trifluoromethylsulfanylbenzyl bromide |
| Flash_Point: | >230 °F |
| Bolling_Point: | 115-118°C 13mm |
|---|---|
| Vapor_Pressure: | 0.065mmHg at 25°C |
| LogP: | 4.19340 |
| 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）48-50 ', '5. Boiling point（ºC,Atmospheric pressure）115-118 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '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'] |
| Computational_Chemistry: | ['1. XlogP :42 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 253 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :152 ', '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: | 53-57 °C(lit.) |
| Exact_Mass: | 269.93300 |
| MF: | C8H6BrF3S |
| Density: | 1.646g/cm3 |
| Refractive_Index: | 1.447 |
| PSA: | 25.30000 |
| Flash_Point: | >230 °F |
| Molecular_Structure: | ['1 . Molar refractive index 5211 ', '2 . Molar volume (m3/mol)1661 ', '3 . Parachor (902K)4109 ', '4 表面张力(dyne/cm)374 ', '5 . Polarizability (10-24cm3)2065'] |
| FW: | 271.09700 |
| Safety_Statements: | H314 |
|---|---|
| WGK_Germany: | 3 |
| Hazard_Codes: | C |
| RIDADR: | UN 1759 8/PG 2 |
| Risk_Statements(EU): | R34;R36 |
| Symbol: | Danger |
| 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_Class: | 8 |
| Packing_Group: | II |
| Warning_Statement: | P280-P305 + P351 + P338-P310 |
