pentamethylbenzonitrile


Catalog No:   FT-0693822

CAS No:   5144-10-5

  • Chemical Name:  pentamethylbenzonitrile
  • Molecular Formula:  C12H15N
  • Molecular Weight:  173.25
  • InChI Key:  NCDPYDGGUAKABA-UHFFFAOYSA-N
  • InChI:  InChI=1S/C12H15N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h1-5H3

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: 158-160ºC
CAS: 5144-10-5
MF: C12H15N
Flash_Point: 143.8ºC
Product_Name: 2,3,4,5,6-pentamethylbenzonitrile
Density: 0.96g/cm3
FW: 173.25400
Bolling_Point: 313.2ºC at 760mmHg
Refractive_Index: 1.515
Flash_Point: 143.8ºC
LogP: 3.10028
Bolling_Point: 313.2ºC at 760mmHg
PSA: 23.79000
Molecular_Structure: ['1 . Molar refractive index 5443 ', '2 . Molar volume (m3/mol)1802 ', '3 . Parachor (902K)4443 ', '4 . Surface tension 369 ', '5 . Polarizability (10 -24cm 3)2157']
Computational_Chemistry: ['1 . XlogP 35 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 238 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 209 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point: 158-160ºC
MF: C12H15N
Exact_Mass: 173.12000
FW: 173.25400
Density: 0.96g/cm3
More_Info: ['1 . Appearance 晶体状粉末 ', '2 . Density不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)158-160 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC,11mmHg)不确定 ', '7 折光率(nD20)不确定 ', '8 . Flash point(°C)不确定 ', '9 . Specific rotation(º, C=1, EtOH)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定']
Hazard_Class: 6.1
Risk_Statements(EU): R20/22
RIDADR: UN 3276
Safety_Statements: S22-S36/37
HS_Code: 2926909090
Packing_Group: III

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