2-(DIFLUOROMETHYLTHIO)BENZOIC ACID


Catalog No:   FT-0608786

CAS No:   79676-56-5

  • Molecular Formula:  203.19
  • Formula Weight: C8H5F2O2S-
  • Inchl Key: JJFFRJTXRATUEE-UHFFFAOYSA-M
  • Inchl: InChI=1S/C8H6F2O2S/c9-8(10)13-6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)/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
Melting_Point: 150-152
CAS: 79676-56-5
MF: C8H6F2O2S
Flash_Point: 96.6ºC
Product_Name: 2-(difluoromethylsulfanyl)benzoic acid
Density: 1.42g/cm3
FW: 204.19400
Bolling_Point: 236.2ºC at 760 mmHg
Refractive_Index: 1.541
Flash_Point: 96.6ºC
LogP: 2.69950
Bolling_Point: 236.2ºC at 760 mmHg
PSA: 62.60000
Molecular_Structure: ['1 . Molar refractive index 4588 ', '2 . Molar volume (m3/mol)1423 ', '3 . Parachor (902K)3727 ', '4 . Surface tension 470 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1819']
Computational_Chemistry: ['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 626 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :187 ', '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: 150-152
MF: C8H6F2O2S
Exact_Mass: 204.00600
FW: 204.19400
Density: 1.42g/cm3
More_Info: ['1 . Appearance Solid 。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)150-152 ', '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 。']
Safety_Statements: S26-S36
Hazard_Codes: Xi: Irritant;
HS_Code: 2930909090
Risk_Statements(EU): R36/37/38

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