3-Methylbenzoylacetonitrile


Catalog No:   FT-0604219

CAS No:   53882-81-8

  • Molecular Formula:  159.18
  • Formula Weight: C10H9NO
  • Inchl Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N
  • Inchl: InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 3-Toluoylacetonitrile
Bolling_Point: 318.6±25.0 °C at 760 mmHg
Density: 1.1±0.1 g/cm3
MF: C10H9NO
CAS: 53882-81-8
Melting_Point: 73 °C
Flash_Point: 146.5±23.2 °C
FW: 159.185
MF: C10H9NO
Bolling_Point: 318.6±25.0 °C at 760 mmHg
Exact_Mass: 159.068420
More_Info: ['1 . Appearance 粉末 ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,5mm hg)73-75 ', '7 . Refractive indexUnknow ', '8 . Flash point(°F)Unknow ', '9 . Specific rotation(ºC)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC) Unknow ', '11 . Vapor pressure(kPa,20ºC)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']
Melting_Point: 73 °C
PSA: 40.86000
Flash_Point: 146.5±23.2 °C
Refractive_Index: 1.533
Density: 1.1±0.1 g/cm3
Computational_Chemistry: ['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 409 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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']
FW: 159.185
LogP: 1.43
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Risk_Statements(EU): R20/21/22;R36/37/38
Hazard_Codes: Xn:Harmful;
HS_Code: 2926909090
Hazard_Class: 6.1
Packing_Group: III
Safety_Statements: S26-S36/37/39
RIDADR: 3439

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