Trifluoro-p-tolunitrile


Catalog No:   FT-0616917

CAS No:   455-18-5

  • Molecular Formula:  171.12
  • Formula Weight: C8H4F3N
  • Inchl Key: DRNJIKRLQJRKMM-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/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
Symbol: GHS02, GHS07
CAS: 455-18-5
Flash_Point: 71.7±0.0 °C
Product_Name: 4-(Trifluoromethyl)benzonitrile
Bolling_Point: 183.2±0.0 °C at 760 mmHg
FW: 171.119
Melting_Point: 39-41 °C(lit.)
MF: C8H4F3N
Density: 1.3±0.1 g/cm3
Refractive_Index: 1.461
Vapor_Pressure: 0.8±0.3 mmHg at 25°C
Flash_Point: 71.7±0.0 °C
LogP: 2.63
Bolling_Point: 183.2±0.0 °C at 760 mmHg
PSA: 23.79000
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']
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 :192 ', '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: 39-41 °C(lit.)
MF: C8H4F3N
Exact_Mass: 171.029587
FW: 171.119
Density: 1.3±0.1 g/cm3
More_Info: ['1 . Appearance Colourless or 淡Yellow Solid ', '2 . Density(g/ m3,25/4℃)1278 ', '3 . Relative vapor density(g/cm3,Atmosphere =1)Unknow ', '4 . Melting point(ºC)39-41 ', '5 . Boiling point(ºC,Atmospheric pressure)80-81 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index14583 ', '8 . Flash point(ºF)161 ', '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)419 ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 263 ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 难Soluble in Water ']
Symbol: GHS02, GHS07
RIDADR: UN 1325 4.1/PG 2
HS_Code: 29269095
Packing_Group: III
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22
WGK_Germany: 3
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes: Xn:Harmful
Warning_Statement: P210-P280
Safety_Statements: H228-H302 + H312 + H332

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