

4-(TRIFLUOROACETYL)BENZOIC ACID
Catalog No: FT-0616866
CAS No: 58808-59-6
- Chemical Name: 4-(TRIFLUOROACETYL)BENZOIC ACID
- Molecular Formula: C9H5F3O3
- Molecular Weight: 218.13
- InChI Key: WLTZCRCZDLLXQP-UHFFFAOYSA-N
- InChI: InChI=1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(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 |
Symbol: | GHS07 |
---|---|
CAS: | 58808-59-6 |
Flash_Point: | 143.4±27.9 °C |
Product_Name: | 4-(Trifluoroacetyl)benzoic acid |
Bolling_Point: | 313.5±42.0 °C at 760 mmHg |
FW: | 218.129 |
Melting_Point: | 178 °C |
MF: | C9H5F3O3 |
Density: | 1.5±0.1 g/cm3 |
Refractive_Index: | 1.494 |
---|---|
Vapor_Pressure: | 0.0±0.7 mmHg at 25°C |
Flash_Point: | 143.4±27.9 °C |
LogP: | 2.10 |
Bolling_Point: | 313.5±42.0 °C at 760 mmHg |
PSA: | 54.37000 |
Molecular_Structure: | ['1 . Molar refractive index 4366 ', '2 . Molar volume (m3/mol)1498 ', '3 . Parachor (902K)3782 ', '4 . Surface tension 405 ', '5 . Polarizability 1731'] |
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 544 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :264 ', '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: | 178 °C |
MF: | C9H5F3O3 |
Exact_Mass: | 218.019073 |
FW: | 218.129 |
Density: | 1.5±0.1 g/cm3 |
More_Info: | ['1 . Appearance White Solid ', '2 . Density(g/cm3 25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)177-179 ', '5 . Boiling point(ºC 3mmHg)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(℃)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 (25℃)Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility (mg/mL)Water 不溶'] |
Symbol: | GHS07 |
---|---|
Risk_Statements(EU): | R36/37/38 |
HS_Code: | 2918300090 |
RIDADR: | NONH for all modes of transport |
Hazard_Codes: | Xi: Irritant; |
Warning_Statement: | P261-P305 + P351 + P338 |
Safety_Statements: | H315-H319-H335 |
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