3-Trifluoromethoxyphenylboronic acid
Catalog No: FT-0613901
CAS No: 179113-90-7
- Chemical Name: 3-Trifluoromethoxyphenylboronic acid
- Molecular Formula: C7H6BF3O3
- Molecular Weight: 205.93
- InChI Key: UWDFWVLAHRQSKK-UHFFFAOYSA-N
- InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
| 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 |
| Bolling_Point: | 266.6±50.0 °C at 760 mmHg |
|---|---|
| MF: | C7H6BF3O3 |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 205.927 |
| Product_Name: | 3-Trifluoromethoxyphenylboronic acid |
| CAS: | 179113-90-7 |
| Flash_Point: | 115.1±30.1 °C |
| Melting_Point: | 84-89 °C(lit.) |
| Bolling_Point: | 266.6±50.0 °C at 760 mmHg |
|---|---|
| LogP: | 2.54 |
| More_Info: | ['1 . Appearance White Solid ', '2 . Density（g/mL25 ºC,）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）80 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC5mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF5mmHg）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 不能溶解于Water 的'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 497 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :186 ', '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: | 84-89 °C(lit.) |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Exact_Mass: | 206.036209 |
| MF: | C7H6BF3O3 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.462 |
| PSA: | 49.69000 |
| Flash_Point: | 115.1±30.1 °C |
| Molecular_Structure: | ['1 . Molar refractive index 4002 ', '2 . Molar volume 1456 ', '3 . Parachor （902K）3540 ', '4 . Surface tension 349 ', '5 . Polarizability 1586'] |
| FW: | 205.927 |
| Safety_Statements: | S37/39-S26 |
|---|---|
| RIDADR: | NONH for all modes of transport |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| HS_Code: | 2931900090 |
| Risk_Statements(EU): | R36/37/38 |
| Hazard_Codes: | Xi:Irritant |
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