4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
Catalog No: FT-0620258
CAS No: 16588-69-5
- Chemical Name: 4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
- Molecular Formula: C8H3ClF3NO
- Molecular Weight: 221.56 g/mol
- InChI Key: SBDPJLJFODHSFF-UHFFFAOYSA-N
- InChI: InChI=1S/C8H3ClF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
| 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: | 16588-69-5 |
| MF: | C8H3ClF3NO |
| Flash_Point: | 94.4±0.0 °C |
| Product_Name: | 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 221.564 |
| Bolling_Point: | 247.0±0.0 °C at 760 mmHg |
| Refractive_Index: | 1.487 |
|---|---|
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Flash_Point: | 94.4±0.0 °C |
| LogP: | 4.59 |
| Bolling_Point: | 247.0±0.0 °C at 760 mmHg |
| PSA: | 29.43000 |
| Molecular_Structure: | ['1 . Molar refractive index 4551 ', '2 . Molar volume （m3/mol）1582 ', '3 . Parachor （902K）3781 ', '4 . Surface tension 325 ', '5 . Polarizability 1804'] |
| Computational_Chemistry: | ['1. XlogP :42 ', '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 294 ', '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: | C8H3ClF3NO |
| Exact_Mass: | 220.985519 |
| FW: | 221.564 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1467g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）64-645°C05mm Hg(lit)6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexn 20/D 1501(lit)8. Flash point（ºC）202°F9. 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'] |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| RIDADR: | UN 2206 6.1/PG 3 |
| Hazard_Codes: | Xn:Harmful; |
| HS_Code: | 2929109000 |
| Safety_Statements: | S7-S26-S27-S37/39 |
| Packing_Group: | III |
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