2-ACETOXYBENZONITRILE


Catalog No:   FT-0635816

CAS No:   5715-02-6

  • Chemical Name:  2-ACETOXYBENZONITRILE
  • Molecular Formula:  C9H7NO2
  • Molecular Weight:  161.16
  • InChI Key:  XXLKCUTUGWSJJO-UHFFFAOYSA-N
  • InChI:  InChI=1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,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
FW: 161.15700
Bolling_Point: 119-121
MF: C9H7NO2
Flash_Point: 132ºC
Product_Name: 2-Acetoxybenzonitrile
Density: 1.14
CAS: 5715-02-6
Melting_Point: 252-254 °C
Computational_Chemistry: ['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 501 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 216 ', '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']
Flash_Point: 132ºC
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)114 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)252-254 ', '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']
PSA: 50.09000
Density: 1.14
Refractive_Index: 1.535
FW: 161.15700
LogP: 1.48358
Bolling_Point: 119-121
Exact_Mass: 161.04800
MF: C9H7NO2
Melting_Point: 252-254 °C
Molecular_Structure: ['1 . Molar refractive index 4243 ', '2 . Molar volume (m3/mol)1362 ', '3 . Parachor (902K)3568 ', '4 . Surface tension 470 ', '5 . Polarizability (10 -24cm 3)1682']
HS_Code: 2926909090
Hazard_Codes: Xi

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