2-METHOXY-5-NITROBENZOTRIFLUORIDE


Catalog No:   FT-0612808

CAS No:   654-76-2

  • Molecular Formula:  221.13
  • Formula Weight: C8H6F3NO3
  • Inchl Key: KGFADEJSZXEVMC-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
FW: 221.133
CAS: 654-76-2
Melting_Point: 79-81 °C(lit.)
Bolling_Point: 267.2±40.0 °C at 760 mmHg
MF: C8H6F3NO3
Product_Name: 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene
Flash_Point: 115.4±27.3 °C
Density: 1.4±0.1 g/cm3
FW: 221.133
MF: C8H6F3NO3
Refractive_Index: 1.472
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Bolling_Point: 267.2±40.0 °C at 760 mmHg
Exact_Mass: 221.029984
PSA: 55.05000
Computational_Chemistry: ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 55 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :238 ', '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']
Molecular_Structure: ['1 . Molar refractive index 4445 ', '2 . Molar volume (m3/mol)1587 ', '3 . Parachor (902K)3766 ', '4 . Surface tension 316 ', '5 . Polarizability 1762']
LogP: 3.16
Melting_Point: 79-81 °C(lit.)
Flash_Point: 115.4±27.3 °C
Density: 1.4±0.1 g/cm3
More_Info: ['1 . Appearance 晶状体粉末。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)79-81 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '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)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 。']
HS_Code: 2909309090
Safety_Statements: S26-S27-S28-S36/37/39-S45
WGK_Germany: 3
RIDADR: UN 1759 8/PG 2
Risk_Statements(EU): R20/22;R36/37/38
Hazard_Codes: C: Corrosive;
Packing_Group: II
Hazard_Class: 8

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