3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID


Catalog No:   FT-0613963

CAS No:   946-65-6

  • Molecular Formula:  221.18
  • Formula Weight: C8H4F3O2S-
  • Inchl Key: IVGAPIVNQABETQ-UHFFFAOYSA-M
  • Inchl: InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)/p-1

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: Warning
Flash_Point: 92.6±27.3 °C
Density: 1.5±0.1 g/cm3
FW: 222.184
Bolling_Point: 229.5±40.0 °C at 760 mmHg
MF: C8H5F3O2S
Product_Name: 3-(Trifluoromethylthio)benzoic acid
CAS: 946-65-6
Melting_Point: 71-74 °C(lit.)
Computational_Chemistry: ['1. XlogP :32 ', '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 626 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :217 ', '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']
Flash_Point: 92.6±27.3 °C
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/mL,15℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)71-74 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point(ºC)Unknow ', '8 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '9 . Specific rotation(º) Unknow ', '10 . Vapor pressure(kPa,25ºC)Unknow ', '11 . Saturated vapor pressure(kPa,60ºC)Unknow ', '12 . Combustion heat(KJ/mol)Unknow ', '13 . Critical temperature(ºC)Unknow ', '14 . Critical pressure(KPa)Unknow ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion(%,V/V)Unknow ', '17 . Lower limit of explosion(%,V/V)Unknow ', '18 . Solubility Unknow']
PSA: 62.60000
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Density: 1.5±0.1 g/cm3
Refractive_Index: 1.537
FW: 222.184
LogP: 3.33
Bolling_Point: 229.5±40.0 °C at 760 mmHg
Exact_Mass: 221.996231
MF: C8H5F3O2S
Melting_Point: 71-74 °C(lit.)
RIDADR: NONH for all modes of transport
Warning_Statement: P261-P305 + P351 + P338
Symbol: Warning
Safety_Statements: H315-H319-H335
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
HS_Code: 2930909090
Risk_Statements(EU): R36/37/38
WGK_Germany: 3
Hazard_Codes: Xi:Irritant;

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