3-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID
Catalog No: FT-0644087
CAS No: 238754-67-1
- Chemical Name: 3-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID
- Molecular Formula: C9H6F4O2
- Molecular Weight: 222.14
- InChI Key: ZFOWDXKJQNNLMW-UHFFFAOYSA-N
- InChI: InChI=1S/C9H6F4O2/c10-7-3-5(4-8(14)15)1-2-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
| 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: | 88-90°C |
|---|---|
| CAS: | 238754-67-1 |
| MF: | C9H6F4O2 |
| Flash_Point: | 115.1±25.9 °C |
| Product_Name: | [3-Fluoro-4-(trifluoromethyl)phenyl]acetic acid |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 222.136 |
| Bolling_Point: | 266.6±35.0 °C at 760 mmHg |
| Refractive_Index: | 1.460 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 115.1±25.9 °C |
| LogP: | 2.15 |
| Bolling_Point: | 266.6±35.0 °C at 760 mmHg |
| FW: | 222.136 |
| PSA: | 37.30000 |
| Computational_Chemistry: | ['1. XlogP :24 ', '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 373 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :239 ', '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: | 88-90°C |
| MF: | C9H6F4O2 |
| Exact_Mass: | 222.030396 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance White 晶体 ', '2 . Density(g/mL20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)106-108 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC1mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(º C)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,)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'] |
| Safety_Statements: | S26-S36 |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2916399090 |
| Risk_Statements(EU): | R36/37/38 |
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