1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE


Catalog No:   FT-0607662

CAS No:   36140-83-7

  • Molecular Formula:  163.18
  • Formula Weight: C8H9N3O
  • Inchl Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H9N3O/c1-6-5-7(2)11(10-6)8(12)3-4-9/h5H,3H2,1-2H3

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: 116-119ºC
CAS: 36140-83-7
MF: C8H9N3O
Flash_Point: 154.2±28.4 °C
Product_Name: 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
Density: 1.2±0.1 g/cm3
FW: 163.177
Bolling_Point: 331.4±44.0 °C at 760 mmHg
Refractive_Index: 1.572
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Flash_Point: 154.2±28.4 °C
LogP: 0.93
Bolling_Point: 331.4±44.0 °C at 760 mmHg
FW: 163.177
PSA: 58.68000
Computational_Chemistry: ['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 587 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :230 ', '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: 116-119ºC
MF: C8H9N3O
Exact_Mass: 163.074554
Density: 1.2±0.1 g/cm3
More_Info: ['1 . Appearance Solid ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)116-119 ', '5 . Boiling point(ºC,Atmospheric pressure) Unknow ', '6 . Boiling point(ºC,15mm hg)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: S22-S24/25
HS_Code: 2933199090

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