4-(Trifluoromethoxy)benzoic acid
Catalog No: FT-0616879
CAS No: 330-12-1
- Molecular Formula: 206.12
- Formula Weight: C8H5F3O3
- Inchl Key: RATSANVPHHXDCT-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 230.2±35.0 °C at 760 mmHg |
|---|---|
| Symbol: | GHS07 |
| MF: | C8H5F3O3 |
| Melting_Point: | 150-154 °C(lit.) |
| Flash_Point: | 93.0±25.9 °C |
| FW: | 206.119 |
| Product_Name: | 4-(Trifluoromethoxy)benzoic acid |
| CAS: | 330-12-1 |
| Density: | 1.4±0.1 g/cm3 |
| PSA: | 46.53000 |
|---|---|
| Bolling_Point: | 230.2±35.0 °C at 760 mmHg |
| Molecular_Structure: | ['1 . Molar refractive index 4031 ', '2 . Molar volume （m3/mol）1423 ', '3 . Parachor （902K）3496 ', '4 . Surface tension 364 ', '5 . Polarizability （10 -24cm 3）1598'] |
| LogP: | 2.99 |
| More_Info: | ['一物性数据 ', '. Appearance White 闪亮结晶粉末 ', '. Density（g/mL,25/4℃）不可用 ', '. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '. Melting point（ºC）150-154 ', '. Boiling point（ºC,Atmospheric pressure）不可用 ', '. Boiling point（ºC,52kPa）不可用 ', '. Refractive index不可用 ', '. Flash point（ºC）不可用 ', '. Specific rotation（º）不可用 ', '. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '. Vapor pressure（kPa,25ºC）不可用 ', '. Saturated vapor pressure（kPa,60ºC）不可用 ', '. Combustion heat（KJ/mol）不可用 ', '. Critical temperature（ºC）不可用 ', '. Critical pressure（KPa）不可用 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility 不可用'] |
| MF: | C8H5F3O3 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '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: | 150-154 °C(lit.) |
| Refractive_Index: | 1.478 |
| Flash_Point: | 93.0±25.9 °C |
| FW: | 206.119 |
| Exact_Mass: | 206.019073 |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Density: | 1.4±0.1 g/cm3 |
| Safety_Statements: | S26-S36-S37/39 |
|---|---|
| Warning_Statement: | P261-P305 + P351 + P338 |
| Hazard_Codes: | Xi:Irritant; |
| Symbol: | GHS07 |
| WGK_Germany: | 3 |
| HS_Code: | 2918990090 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Risk_Statements(EU): | R36/37/38 |
| RIDADR: | NONH for all modes of transport |
