3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide


Catalog No:   FT-0653255

CAS No:   31188-91-7

  • Chemical Name:  3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide
  • Molecular Formula:  C34H37Cl3N4O4
  • Molecular Weight:  672
  • InChI Key:  QDIMMGOJTIUSOA-UHFFFAOYSA-N
  • InChI:  InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)

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: 140ºC
CAS: 31188-91-7
MF: C34H37Cl3N4O4
Flash_Point: N/A
Product_Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Density: 1.28 g/cm3
FW: 672.04100
Bolling_Point: N/A
Refractive_Index: 1.606
LogP: 8.48420
PSA: 100.10000
Molecular_Structure: ['1 . Molar refractive index 17987 ', '2 . Molar volume (m3/mol)5213 ', '3 . Parachor (902K)13487 ', '4 . Surface tension 447 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 7130']
Computational_Chemistry: ['1. XlogP :94 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :24 ', '6. TPSA 100 ', '7. Heavy Atom Count :45 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1090 ', '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: 140ºC
MF: C34H37Cl3N4O4
Exact_Mass: 670.18800
FW: 672.04100
Density: 1.28 g/cm3
More_Info: ['1 . Appearance 无可用 ', '2 . Density(g/mL,25/4℃)无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)140 ', '5 . Boiling point(ºC,Atmospheric pressure)无可用 ', '6 . Boiling point(ºC,52kPa)无可用 ', '7 . Refractive index无可用 ', '8 . Flash point(ºC)无可用 ', '9 . Specific rotation(º)无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC)无可用 ', '11 . Vapor pressure(kPa,25ºC)无可用 ', '12 . Saturated vapor pressure(kPa,60ºC)无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC)无可用 ', '15 . Critical pressure(KPa)无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V)无可用 ', '19 . Solubility 无可用']
Safety_Statements: 26-36
Hazard_Codes: Xi: Irritant;
Risk_Statements(EU): R36/37/38

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