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)

Product pricing and availability information
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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