2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
Catalog No: FT-0611810
CAS No: 23165-49-3
- Molecular Formula: 237.63
- Formula Weight: C8H3ClF3NS
- Inchl Key: KHTMKXDMVYHDSY-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
| 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: | 23165-49-3 |
| Flash_Point: | >230 °F |
| Product_Name: | 1-chloro-2-isothiocyanato-4-(trifluoromethyl)benzene |
| Bolling_Point: | 239 °C(lit.) |
| FW: | 237.62900 |
| Melting_Point: | N/A |
| MF: | C8H3ClF3NS |
| Density: | 1.447 g/mL at 25 °C(lit.) |
| Refractive_Index: | n20/D 1.57(lit.) |
|---|---|
| Vapor_Pressure: | 0.00978mmHg at 25°C |
| Flash_Point: | >230 °F |
| LogP: | 4.09310 |
| Bolling_Point: | 239 °C(lit.) |
| FW: | 237.62900 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1. XlogP :48 ', '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 :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :250 ', '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: | C8H3ClF3NS |
| Exact_Mass: | 236.96300 |
| Molecular_Structure: | ['五分子性质数据 ', '1 . Molar refractive index 5198 ', '2 . Molar volume 1696 ', '3 . Parachor (902K)4012 ', '4 表面张力(dyne/cm)312 ', '5 . Polarizability (10-24cm3)2060'] |
| Density: | 1.447 g/mL at 25 °C(lit.) |
| More_Info: | ['1. Appearance 灰Yellow Liquid ，刺激性气味 ', '2. Density（g/mL,25/4℃）1447 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index 157 ', '8. Flash point（ºC） >230°F ', '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: | 2810 |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard_Codes: | C: Corrosive;T: Toxic; |
| Warning_Statement: | P280-P301 + P310 + P330-P304 + P340 + P312-P305 + P351 + P338-P337 + P313 |
| Safety_Statements: | H301-H315-H319-H335 |
