4-CYANOPHENYL 4-HEPTYLBENZOATE


Catalog No:   FT-0639489

CAS No:   38690-76-5

  • Chemical Name:  4-CYANOPHENYL 4-HEPTYLBENZOATE
  • Molecular Formula:  C21H23NO2
  • Molecular Weight:  321.4
  • InChI Key:  ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
  • InChI:  InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3

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
Melting_Point: 44-45 °C(lit.)
CAS: 38690-76-5
MF: C21H23F3N2O2
Flash_Point: >230 °F
Product_Name: 4-Cyanophenyl 4-Heptylbenzoate
Density: 1.09g/cm3
FW: 392.41500
Bolling_Point: 476.4ºC at 760 mmHg
Refractive_Index: 1.56
Flash_Point: >230 °F
LogP: 5.39680
Bolling_Point: 476.4ºC at 760 mmHg
FW: 392.41500
PSA: 41.57000
Computational_Chemistry: ['1. XlogP :66 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :3 ', '6. TPSA 501 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :409 ', '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: 44-45 °C(lit.)
MF: C21H23F3N2O2
Exact_Mass: 392.17100
Density: 1.09g/cm3
More_Info: ['1 . Appearance 晶体 ', '2 . Density(g/mL,20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)4300 - 4600 deg C ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,24mm hg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)> 112 deg C ', '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: S36
Hazard_Codes: Xn
HS_Code: 2926909090
Risk_Statements(EU): R20/21/22
WGK_Germany: 3

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