2-PHENYLINDOLE-3-ACETONITRILE


Catalog No:   FT-0638658

CAS No:   27005-52-3

  • Chemical Name:  2-PHENYLINDOLE-3-ACETONITRILE
  • Molecular Formula:  C16H12N2
  • Molecular Weight:  232.28
  • InChI Key:  CNAHOBNLHXZPRN-UHFFFAOYSA-N
  • InChI:  InChI=1S/C16H12N2/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-9,18H,10H2

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: 217-224 °C
CAS: 27005-52-3
MF: C16H12N2
Flash_Point: 154.4ºC
Product_Name: 2-(2-phenyl-1H-indol-3-yl)acetonitrile
Density: 1.201g/cm3
FW: 232.28000
Bolling_Point: 120 °C (20.2527 mmHg)
Refractive_Index: 1.674
Vapor_Pressure: 6.75E-10mmHg at 25°C
Flash_Point: 154.4ºC
LogP: 3.90098
Bolling_Point: 120 °C (20.2527 mmHg)
Water_Solubility: 100 g/100 mL
PSA: 39.58000
Molecular_Structure: ['1 . Molar refractive index 7258 ', '2 . Molar volume (m3/mol)1933 ', '3 . Parachor (902K)5289 ', '4 . Surface tension 560 ', '5 . Polarizability (10 -24cm 3)2877']
Computational_Chemistry: ['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 396 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :323 ', '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: 217-224 °C
MF: C16H12N2
Exact_Mass: 232.10000
FW: 232.28000
Density: 1.201g/cm3
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)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']
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
RIDADR: 3276
Safety_Statements: S36/37/39
HS_Code: 2933990090
Packing_Group: III

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