3-(Trifluoromethyl)benzoic acid


Catalog No:   FT-0613928

CAS No:   454-92-2

  • Molecular Formula:  190.12
  • Formula Weight: C8H5F3O2
  • Inchl Key: FQXQBFUUVCDIRK-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

Assay Pack 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: 454-92-2
Flash_Point: 102.9±27.3 °C
Product_Name: 3-(Trifluoromethyl)benzoic acid
Bolling_Point: 237.7±0.0 °C at 760 mmHg
FW: 190.119
Melting_Point: 104-106 °C(lit.)
MF: C8H5F3O2
Density: 1.4±0.1 g/cm3
Refractive_Index: 1.475
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Flash_Point: 102.9±27.3 °C
LogP: 2.95
Bolling_Point: 237.7±0.0 °C at 760 mmHg
PSA: 37.30000
Molecular_Structure: ['1 . Molar refractive index 3816 ', '2 . Molar volume 1354 ', '3 . Parachor (902K)3266 ', '4 . Surface tension 337 ', '5 . Polarizability 1512']
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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: 104-106 °C(lit.)
MF: C8H5F3O2
Exact_Mass: 190.024170
FW: 190.119
Density: 1.4±0.1 g/cm3
More_Info: ['1 . Appearance White 粉末 ', '2 晶相标准声称热(焓)( kJ·mol-1)-10697 ', '3 . Relative vapor density(g/cm3,Atmosphere =1)Unknow ', '4 . Melting point(ºC)104-106 ', '5 . Boiling point(ºC,Atmospheric pressure)2385 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºF)237-240 ', '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)502 ', '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 易Soluble in Water ']
Symbol: GHS07
Risk_Statements(EU): R36/37/38
HS_Code: 29163900
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

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