2,5-Bis(trifluoromethyl)benzoic acid


Catalog No:   FT-0610262

CAS No:   42580-42-7

  • Molecular Formula:  258.12
  • Formula Weight: C9H4F6O2
  • Inchl Key: PINBPLCVZSKLTF-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)

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: 42580-42-7
Flash_Point: N/A
Product_Name: 2,5-Bis(trifluoromethyl)benzoic acid
Bolling_Point: 55.2ºC at 760mmHg
FW: 258.11700
Melting_Point: 78-80 °C(lit.)
MF: C9H4F6O2
Density: 1.319g/cm3
Refractive_Index: 1.424
LogP: 3.42240
Bolling_Point: 55.2ºC at 760mmHg
FW: 258.11700
PSA: 37.30000
Computational_Chemistry: ['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :295 ', '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: 78-80 °C(lit.)
MF: C9H4F6O2
Exact_Mass: 258.01200
Density: 1.319g/cm3
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)78-80 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,19mm hg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºF)Unknow ', '9 . Specific rotation(ºC)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC) Unknow ', '11 . Vapor pressure(kPa,20ºC)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

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