Isofraxidin


Catalog No:   FT-0698467

CAS No:   486-21-5

  • Molecular Formula:  222.19
  • Formula Weight: C11H10O5
  • Inchl Key: HOEVRHHMDJKUMZ-UHFFFAOYSA-N
  • Inchl: InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,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
FW: 222.194
CAS: 486-21-5
Melting_Point: >300 °C(lit.)
Bolling_Point: 452.1±45.0 °C at 760 mmHg
MF: C11H10O5
Product_Name: Isofraxidin
Flash_Point: 183.2±22.2 °C
Density: 1.4±0.1 g/cm3
FW: 222.194
MF: C11H10O5
Water_Solubility: slightly soluble
Refractive_Index: 1.588
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/ m3,25/4℃)Unknow ', '3 . Relative vapor density(g/cm3,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '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']
Vapor_Pressure: 0.0±1.1 mmHg at 25°C
Bolling_Point: 452.1±45.0 °C at 760 mmHg
Exact_Mass: 222.052826
PSA: 68.90000
Computational_Chemistry: ['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 65 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :301 ', '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']
Molecular_Structure: ['1 . Molar refractive index 5540 ', '2 . Molar volume (m3/mol)1702 ', '3 . Parachor (902K)4504 ', '4 . Surface tension 490 ', '5 . Polarizability (10 -24cm 3)2196']
LogP: 1.31
Melting_Point: >300 °C(lit.)
Flash_Point: 183.2±22.2 °C
Density: 1.4±0.1 g/cm3
RTECS: OY2300000
Safety_Statements: S23-S28-S28A-S25
Hazard_Codes: Xn
RIDADR: NONH for all modes of transport
Risk_Statements(EU): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
WGK_Germany: 1

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