Piperonylonitrile


Catalog No:   FT-0614107

CAS No:   4421-09-4

  • Molecular Formula:  147.13
  • Formula Weight: C8H5NO2
  • Inchl Key: PKRWWZCDLJSJIF-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Bolling_Point: 257.3±29.0 °C at 760 mmHg
CAS: 4421-09-4
MF: C8H5NO2
Melting_Point: 91-93 °C(lit.)
Symbol: Warning
Density: 1.3±0.1 g/cm3
FW: 147.131
Product_Name: Piperonylonitrile
Flash_Point: 115.4±17.5 °C
Bolling_Point: 257.3±29.0 °C at 760 mmHg
LogP: 1.88
More_Info: ['1 . Appearance 灰White Solid ', '2 . Density(g/mL ,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)91-93 ', '5 . Boiling point(ºC)不确定 ', '6 . Boiling point(ºC,01mmHg)不确定 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 蒸汽压(20ºC)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']
Computational_Chemistry: ['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 423 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 196 ', '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: 91-93 °C(lit.)
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Exact_Mass: 147.032028
MF: C8H5NO2
Density: 1.3±0.1 g/cm3
Refractive_Index: 1.597
PSA: 42.25000
Flash_Point: 115.4±17.5 °C
Molecular_Structure: ['1 . Molar refractive index 3737 ', '2 . Molar volume 1096 ', '3 . Parachor (902K)3007 ', '4 . Surface tension 564 ', '5 . Polarizability 1481']
FW: 147.131
Safety_Statements: H302 + H312 + H332
RIDADR: 3276
WGK_Germany: 3
Hazard_Codes: Xn:Harmful;
RTECS: TO2645000
HS_Code: 2932999099
Risk_Statements(EU): R20/21
Symbol: Warning
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
Hazard_Class: 6.1
Packing_Group: III
Warning_Statement: P280

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