3,5-Dimethylbenzonitrile


Catalog No:   FT-0638234

CAS No:   22445-42-7

  • Molecular Formula:  131.17
  • Formula Weight: C9H9N
  • Inchl Key: YFKRLZLGVDDKAL-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,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
Bolling_Point: 243.1±9.0 °C at 760 mmHg
MF: C9H9N
Density: 1.0±0.1 g/cm3
FW: 131.174
Product_Name: 3,5-Dimethylbenzonitrile
CAS: 22445-42-7
Flash_Point: 100.8±11.2 °C
Melting_Point: 42-43°C
Bolling_Point: 243.1±9.0 °C at 760 mmHg
Vapor_Pressure: 0.0±0.5 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)42-43 ', '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']
LogP: 2.58
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '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: 42-43°C
Exact_Mass: 131.073502
MF: C9H9N
Density: 1.0±0.1 g/cm3
Refractive_Index: 1.526
PSA: 23.79000
Flash_Point: 100.8±11.2 °C
Molecular_Structure: ['1 . Molar refractive index 4056 ', '2 . Molar volume (cm3/mol)1322 ', '3 . Parachor (902K)3295 ', '4 表面张力(dyne/cm)386 ', '5 . Polarizability (10-24cm3)1608']
FW: 131.174
Safety_Statements: S26-S36/37/39
HS_Code: 2926909090
RIDADR: 3276
Hazard_Codes: Xi: Irritant;
Risk_Statements(EU): R20/21/22

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