4-(Trifluoromethyl)cinnamic acid
Catalog No: FT-0637391
CAS No: 16642-92-5
- Chemical Name: 4-(Trifluoromethyl)cinnamic acid
- Molecular Formula: C10H7F3O2
- Molecular Weight: 216.16
- InChI Key: ANRMAUMHJREENI-ZZXKWVIFSA-N
- InChI: InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
| 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 |
| Symbol: | GHS07 |
|---|---|
| CAS: | 16642-92-5 |
| Flash_Point: | 122.6±25.9 °C |
| Product_Name: | 4-(Trifluoromethyl)cinnamic acid |
| Bolling_Point: | 279.2±35.0 °C at 760 mmHg |
| FW: | 216.157 |
| Melting_Point: | 231-233 °C(lit.) |
| MF: | C10H7F3O2 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.526 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 122.6±25.9 °C |
| LogP: | 3.37 |
| Bolling_Point: | 279.2±35.0 °C at 760 mmHg |
| PSA: | 37.30000 |
| Molecular_Structure: | ['1 . Molar refractive index 4868 ', '2 . Molar volume （m3/mol）1585 ', '3 . Parachor （902K）3892 ', '4 . Surface tension 363 ', '5 . Polarizability 1930 ', '6 熔点230-234°C'] |
| Computational_Chemistry: | ['1. XlogP :3 ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count ', '6. TPSA :373 ', '7. Heavy Atom Count 15 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 250 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1'] |
| Melting_Point: | 231-233 °C(lit.) |
| MF: | C10H7F3O2 |
| Exact_Mass: | 216.039810 |
| FW: | 216.157 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）231-233°C(lit)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'] |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2916399090 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xi: Irritant; |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
