2-METHOXY-5-NITROBENZOTRIFLUORIDE
Catalog No: FT-0612808
CAS No: 654-76-2
- Molecular Formula: 221.13
- Formula Weight: C8H6F3NO3
- Inchl Key: KGFADEJSZXEVMC-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| FW: | 221.133 |
|---|---|
| CAS: | 654-76-2 |
| Melting_Point: | 79-81 °C(lit.) |
| Bolling_Point: | 267.2±40.0 °C at 760 mmHg |
| MF: | C8H6F3NO3 |
| Product_Name: | 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene |
| Flash_Point: | 115.4±27.3 °C |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 221.133 |
|---|---|
| MF: | C8H6F3NO3 |
| Refractive_Index: | 1.472 |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Bolling_Point: | 267.2±40.0 °C at 760 mmHg |
| Exact_Mass: | 221.029984 |
| PSA: | 55.05000 |
| Computational_Chemistry: | ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 55 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :238 ', '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'] |
| Molecular_Structure: | ['1 . Molar refractive index 4445 ', '2 . Molar volume （m3/mol）1587 ', '3 . Parachor （902K）3766 ', '4 . Surface tension 316 ', '5 . Polarizability 1762'] |
| LogP: | 3.16 |
| Melting_Point: | 79-81 °C(lit.) |
| Flash_Point: | 115.4±27.3 °C |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 晶状体粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）79-81 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '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 。'] |
| HS_Code: | 2909309090 |
|---|---|
| Safety_Statements: | S26-S27-S28-S36/37/39-S45 |
| WGK_Germany: | 3 |
| RIDADR: | UN 1759 8/PG 2 |
| Risk_Statements(EU): | R20/22;R36/37/38 |
| Hazard_Codes: | C: Corrosive; |
| Packing_Group: | II |
| Hazard_Class: | 8 |
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