4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE


Catalog No:   FT-0620258

CAS No:   16588-69-5

  • Chemical Name:  4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
  • Molecular Formula:  C8H3ClF3NO
  • Molecular Weight:  221.56
  • InChI Key:  SBDPJLJFODHSFF-UHFFFAOYSA-N
  • InChI:  InChI=1S/C8H3ClF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H

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: N/A
CAS: 16588-69-5
MF: C8H3ClF3NO
Flash_Point: 94.4±0.0 °C
Product_Name: 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene
Density: 1.4±0.1 g/cm3
FW: 221.564
Bolling_Point: 247.0±0.0 °C at 760 mmHg
Refractive_Index: 1.487
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Flash_Point: 94.4±0.0 °C
LogP: 4.59
Bolling_Point: 247.0±0.0 °C at 760 mmHg
PSA: 29.43000
Molecular_Structure: ['1 . Molar refractive index 4551 ', '2 . Molar volume (m3/mol)1582 ', '3 . Parachor (902K)3781 ', '4 . Surface tension 325 ', '5 . Polarizability 1804']
Computational_Chemistry: ['1. XlogP :42 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :250 ', '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']
MF: C8H3ClF3NO
Exact_Mass: 220.985519
FW: 221.564
Density: 1.4±0.1 g/cm3
More_Info: ['1. Appearance Unknow ', '2. Density(g/mL,25/4℃)1467g/mLat 25°C(lit)3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)Unknow ', '5. Boiling point(ºC,Atmospheric pressure)64-645°C05mm Hg(lit)6. Boiling point(ºC,52kPa)Unknow ', '7. Refractive indexn 20/D 1501(lit)8. Flash point(ºC)202°F9. 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']
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22;R36/37/38
WGK_Germany: 3
RIDADR: UN 2206 6.1/PG 3
Hazard_Codes: Xn:Harmful;
HS_Code: 2929109000
Safety_Statements: S7-S26-S27-S37/39
Packing_Group: III

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