3-Isoquinolinecarbonitrile


Catalog No:   FT-0627509

CAS No:   26947-41-1

  • Molecular Formula:  154.168
  • Formula Weight: C10H6N2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 3-Isoquinolinecarbonitrile
Flash_Point: 121.6±5.6 °C
Melting_Point: 126-128 °C(lit.)
FW: 154.168
Density: 1.2±0.1 g/cm3
CAS: 26947-41-1
Bolling_Point: 348.9±15.0 °C at 760 mmHg
MF: C10H6N2
Molecular_Structure: ['1 . Molar refractive index 4667 ', '2 . Molar volume (m3/mol)1272 ', '3 . Parachor (902K)3534 ', '4 . Surface tension 594 ', '5 . Polarizability (10 -24cm 3)1850']
Flash_Point: 121.6±5.6 °C
Refractive_Index: 1.654
FW: 154.168
Density: 1.2±0.1 g/cm3
Bolling_Point: 348.9±15.0 °C at 760 mmHg
Computational_Chemistry: ['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 367 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :203 ', '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']
LogP: 1.74
Melting_Point: 126-128 °C(lit.)
PSA: 36.68000
MF: C10H6N2
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)126-128 ', '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±0.8 mmHg at 25°C
Exact_Mass: 154.053101
Hazard_Codes: Xn:Harmful;
Risk_Statements(EU): R20/21/22;R36/37/38
Packing_Group: III
Hazard_Class: 6.1
RIDADR: 3439
HS_Code: 2933499090
WGK_Germany: 3
Safety_Statements: S26-S37/39

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