3,5-Bis(trifluoromethyl)benzoic acid


Catalog No:   FT-0614456

CAS No:   725-89-3

  • Molecular Formula:  258.12
  • Formula Weight: C9H4F6O2
  • Inchl Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/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: 725-89-3
Flash_Point: 89.2±27.3 °C
Product_Name: 3,5-Bis(trifluoromethyl)benzoic acid
Bolling_Point: 223.9±40.0 °C at 760 mmHg
FW: 258.117
Melting_Point: 142-143 °C(lit.)
MF: C9H4F6O2
Density: 1.5±0.1 g/cm3
Refractive_Index: 1.424
Vapor_Pressure: 0.1±0.5 mmHg at 25°C
Flash_Point: 89.2±27.3 °C
LogP: 4.28
Bolling_Point: 223.9±40.0 °C at 760 mmHg
PSA: 37.30000
Molecular_Structure: ['1 . Molar refractive index 4314 ', '2 . Molar volume (m3/mol)1689 ', '3 . Parachor (902K)3838 ', '4 . Surface tension 266 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1710']
Computational_Chemistry: ['1 . XlogP 38 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 17 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 273 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point: 142-143 °C(lit.)
MF: C9H4F6O2
Exact_Mass: 258.011536
FW: 258.117
Density: 1.5±0.1 g/cm3
More_Info: ['1 . Appearance White 纤维状Solid ', '2 . Density(g/mL,25/4℃)142 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)140-144 ', '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
RIDADR: NONH for all modes of transport
HS_Code: 2916399090
Risk_Statements(EU): R36/37/38
WGK_Germany: 3
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
RTECS: DG4448020
Hazard_Codes: Xi:Irritant
Warning_Statement: P261-P305 + P351 + P338
Safety_Statements: H315-H319-H335

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