4-(5-propyl-1,3-dioxan-2-yl)benzonitrile


Catalog No:   FT-0756796

CAS No:   80285-16-1

  • Chemical Name:  4-(5-propyl-1,3-dioxan-2-yl)benzonitrile
  • Molecular Formula:  C14H17NO2
  • Molecular Weight:  231.29
  • InChI Key:  GQPFCPRCGONDNN-UHFFFAOYSA-N
  • InChI:  InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3

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
Bolling_Point: 366.3ºC at 760 mmHg
CAS: 80285-16-1
MF: C14H17NO2
Density: 1.1 g/cm3
Melting_Point: 58-60ºC
Product_Name: 2-(4-cyanophenyl)-5-n-propyl-1,3-dioxane
Flash_Point: 132.7ºC
FW: 231.29000
MF: C14H17NO2
Density: 1.1 g/cm3
Computational_Chemistry: ['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 422 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :267 ', '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']
More_Info: ['1 . Appearance Solid ', '2 . Density(g/mL20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)58-60 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC2mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(º F)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)不适用的 ', '11 . Vapor pressure(kPa,)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']
Exact_Mass: 231.12600
Flash_Point: 132.7ºC
PSA: 42.25000
LogP: 3.01998
Bolling_Point: 366.3ºC at 760 mmHg
FW: 231.29000
Melting_Point: 58-60ºC
Hazard_Class: 6.1
HS_Code: 2932999099
Safety_Statements: 22-36/37/39
Packing_Group: III
RIDADR: UN3439
Risk_Statements(EU): R20/21/22

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