5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile


Catalog No:   FT-0680332

CAS No:   23819-87-6

  • Chemical Name:  5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
  • Molecular Formula:  C8H7BrN2O
  • Molecular Weight:  227.06
  • InChI Key:  DFGKQCOFARYQOA-UHFFFAOYSA-N
  • InChI:  InChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)

Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 263-266ºC
CAS: 23819-87-6
MF: C8H7BrN2O
Flash_Point: 135.8±27.9 °C
Product_Name: 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
Density: 1.6±0.1 g/cm3
FW: 227.058
Bolling_Point: 301.0±42.0 °C at 760 mmHg
Refractive_Index: 1.589
Vapor_Pressure: 0.0±0.6 mmHg at 25°C
Flash_Point: 135.8±27.9 °C
LogP: 0.65
Bolling_Point: 301.0±42.0 °C at 760 mmHg
FW: 227.058
PSA: 56.91000
Computational_Chemistry: ['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 529 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :357 ', '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: 263-266ºC
MF: C8H7BrN2O
Exact_Mass: 225.974167
Molecular_Structure: ['1 . Molar refractive index 4761 ', '2 . Molar volume 4761 ', '3 . Parachor (902K)3913 ', '4 . Surface tension 699 ', '5 . Polarizability 1887']
Density: 1.6±0.1 g/cm3
Hazard_Class: 6.1
RIDADR: UN3439
HS_Code: 2933399090
Packing_Group: III

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