3-(Trifluoromethyl)benzonitrile


Catalog No:   FT-0613932

CAS No:   368-77-4

  • Molecular Formula:  171.12
  • Formula Weight: C8H4F3N
  • Inchl Key: OGOBINRVCUWLGN-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 16-20 °C(lit.)
CAS: 368-77-4
MF: C8H4F3N
Flash_Point: 72.2±0.0 °C
Product_Name: 3-(Trifluoromethyl)benzonitrile
Density: 1.3±0.1 g/cm3
FW: 171.119
Bolling_Point: 189.0±35.0 °C at 760 mmHg
Refractive_Index: 1.461
Vapor_Pressure: 0.6±0.4 mmHg at 25°C
Flash_Point: 72.2±0.0 °C
LogP: 2.56
Bolling_Point: 189.0±35.0 °C at 760 mmHg
FW: 171.119
PSA: 23.79000
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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: 16-20 °C(lit.)
MF: C8H4F3N
Exact_Mass: 171.029587
Molecular_Structure: ['1 . Molar refractive index 3631 ', '2 . Molar volume (m3/mol)1324 ', '3 . Parachor (902K)3150 ', '4 . Surface tension 320 ', '5 . Polarizability (10 -24cm 3)1439']
Density: 1.3±0.1 g/cm3
More_Info: ['一物性数据 ', '. Appearance Colourless or 淡Yellow Liquid ', '. Density(g/mL,25/4℃)1281 ', '. Relative vapor density(g/mL,Atmosphere =1)不可用 ', '. Melting point(ºC)145 ', '. Boiling point(ºC,Atmospheric pressure)189 ', '. Boiling point(ºC,52kPa)不可用 ', '. Refractive index14575 ', '. Flash point(ºC)不可用 ', '. Specific rotation(º)不可用 ', '. Spontaneous ignition point or ignition temperature(ºC)不可用 ', '. Vapor pressure(kPa,25ºC)不可用 ', '. Saturated vapor pressure(kPa,60ºC)不可用 ', '. Combustion heat(KJ/mol)不可用 ', '. Critical temperature(ºC)不可用 ', '. Critical pressure(KPa)不可用 ', '. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion(%,V/V)不可用 ', '. Lower limit of explosion(%,V/V)不可用 ', '. Solubility 不可用']
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22
WGK_Germany: 3
Personal_Protective_Equipment: Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
RIDADR: 3276
Hazard_Codes: Xn:Harmful
HS_Code: 29269095
Safety_Statements: S45
Packing_Group: III

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