3-(TRIFLUOROMETHYL)CROTONIC ACID
Catalog No: FT-0613943
CAS No: 69056-67-3
- Molecular Formula: 154.09
- Formula Weight: C5H5F3O2
- Inchl Key: QRRCTLYMABZQCS-NSCUHMNNSA-N
- Inchl: InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)/b3-2+
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | 3-(trifluoromethyl)crotonic acid |
|---|---|
| Flash_Point: | 175 °F |
| Melting_Point: | 28-30 °C(lit.) |
| FW: | 154.08700 |
| Density: | 1.318 g/mL at 25 °C(lit.) |
| CAS: | 69056-67-3 |
| Bolling_Point: | 158-163 °C(lit.) |
| MF: | C5H5F3O2 |
| Molecular_Structure: | ['1 . Molar refractive index 2713 ', '2 . Molar volume （m3/mol）1155 ', '3 . Parachor （902K）2598 ', '4 . Surface tension 256 ', '5 . Polarizability 1075'] |
|---|---|
| Flash_Point: | 175 °F |
| Refractive_Index: | 1.3850 |
| FW: | 154.08700 |
| Density: | 1.318 g/mL at 25 °C(lit.) |
| Bolling_Point: | 158-163 °C(lit.) |
| Computational_Chemistry: | ['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 10 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 168 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| LogP: | 1.57960 |
| Melting_Point: | 28-30 °C(lit.) |
| PSA: | 37.30000 |
| MF: | C5H5F3O2 |
| More_Info: | ['1 . Appearance 灰Yellow 低. Melting pointSolid 。 ', '2 . Density（g/mL,25/4℃）1318 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）28-30 ', '5 . Boiling point（ºC,Atmospheric pressure）158-163 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index13850 ', '8 . Flash point（ºC）79 ', '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 。'] |
| Exact_Mass: | 154.02400 |
| Hazard_Codes: | C |
|---|---|
| Risk_Statements(EU): | R34 |
| Packing_Group: | II |
| Hazard_Class: | 8 |
| RIDADR: | UN 3261 8/PG 3 |
| HS_Code: | 2916190090 |
| WGK_Germany: | 3 |
| Safety_Statements: | S26-S27-S36/37/39-S45 |
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