2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE
Catalog No: FT-0613162
CAS No: 778-94-9
- Molecular Formula: 216.12
- Formula Weight: C8H3F3N2O2
- Inchl Key: BQCWLXXZTCLGSZ-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/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: | GHS07 |
|---|---|
| CAS: | 778-94-9 |
| Flash_Point: | >230 °F |
| Product_Name: | 2-nitro-4-(trifluoromethyl)benzonitrile |
| Bolling_Point: | 156-158 °C18 mm Hg(lit.) |
| FW: | 216.11700 |
| Melting_Point: | 44-47 °C(lit.) |
| MF: | C8H3F3N2O2 |
| Density: | 1.49 g/cm3 |
| Flash_Point: | >230 °F |
|---|---|
| LogP: | 3.00848 |
| Bolling_Point: | 156-158 °C18 mm Hg(lit.) |
| FW: | 216.11700 |
| PSA: | 69.61000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 696 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :301 ', '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: | 44-47 °C(lit.) |
| MF: | C8H3F3N2O2 |
| Exact_Mass: | 216.01500 |
| Molecular_Structure: | ['1 . Molar refractive index 4234 ', '2 . Molar volume （m3/mol）1442 ', '3 . Parachor （902K）3720 ', '4 . Surface tension 442 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1678'] |
| Density: | 1.49 g/cm3 |
| 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）44-47°C ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 18mm Hg）156-158°C ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）>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: | GHS07 |
|---|---|
| RIDADR: | 3276 |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard_Codes: | Xn:Harmful; |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
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