3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE


Catalog No:   FT-0604222

CAS No:   27328-86-5

  • Molecular Formula:  213.16
  • Formula Weight: C10H6F3NO
  • Inchl Key: GEPORLBYZLQDOB-UHFFFAOYSA-N
  • Inchl: InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
CAS: 27328-86-5
FW: 213.156
Flash_Point: 123.1±27.3 °C
Bolling_Point: 280.0±40.0 °C at 760 mmHg
Product_Name: 3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
Melting_Point: 60-62°C
MF: C10H6F3NO
Density: 1.3±0.1 g/cm3
Vapor_Pressure: 0.0±0.6 mmHg at 25°C
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)58-63 ', '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']
Bolling_Point: 280.0±40.0 °C at 760 mmHg
Flash_Point: 123.1±27.3 °C
LogP: 2.03
PSA: 40.86000
FW: 213.156
MF: C10H6F3NO
Molecular_Structure: ['1 . Molar refractive index 4580 ', '2 . Molar volume (m3/mol)1643 ', '3 . Parachor (902K)3977 ', '4 . Surface tension 342 ', '5 . Polarizability (10 -24cm 3)1815']
Computational_Chemistry: ['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 409 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :289 ', '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']
Exact_Mass: 213.040146
Melting_Point: 60-62°C
Refractive_Index: 1.469
Density: 1.3±0.1 g/cm3
Safety_Statements: S26-S36/37/39
Hazard_Codes: Xn:Harmful;
RIDADR: 3439
Packing_Group: III
Risk_Statements(EU): R20/21/22;R36/37/38
HS_Code: 2926909090

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