ChemSpider 2D Image | picolinafen | C19H12F4N2O2

picolinafen

  • Molecular FormulaC19H12F4N2O2
  • Average mass376.304 Da
  • Monoisotopic mass376.083496 Da
  • ChemSpider ID2542991

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

11343423 [Beilstein]
137641-05-5 [RN]
2-Pyridinecarboxamide, N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]- [ACD/Index Name]
2-Pyridinecarboximidic acid, N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]- [ACD/Index Name]
4'-Fluoro-6-(α,α,α-trifluoro-m-tolyloxy)pyridine-2-carboxanilide [ACD/IUPAC Name]
Acide N-(4-fluorophényl)-6-[3-(trifluorométhyl)phénoxy]-2-pyridinecarboximidique [French] [ACD/IUPAC Name]
MFCD04040061
N-(4-Fluorophenyl)-6-(α,α,α-trifluoro-m-tolyloxy)picolinamide [ACD/IUPAC Name]
N-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxamide [ACD/IUPAC Name]
N-(4-Fluorophényl)-6-[3-(trifluorométhyl)phénoxy]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CL 900001 [DBID]
37912_RIEDEL [DBID]
  • Miscellaneous

    • Chemical Class:

      A pyridinecarboxamide resulting from the formal condensation of the carboxy group of 6-(<ital>m</ital>-trifluoromethylphenoxy)picolinic acid with the amino group of <ital>p</ital>-fluoroaniline. A car otenoid biosynthesis inhibitor, it is used as a herbicide for the control of broad-leaved weeds in cereal crops. ChEBI CHEBI:138736
      A pyridinecarboxamide resulting from the formal condensation of the carboxy group of 6-(m-trifluoromethylphenoxy)picolinic acid with the amino group of p-fluoroaniline. A carotenoid biosynthesis inhib itor, it is used as a herbicide for the control of broad-leaved weeds in cereal crops. ChEBI CHEBI:138736

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.584
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 486.03
ACD/KOC (pH 5.5): 2915.49
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.15
ACD/KOC (pH 7.4): 2910.19
Polar Surface Area: 51 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 269.8±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  480.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  203.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.08E-009  (Modified Grain method)
    Subcooled liquid VP: 8.33E-008 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1103
       log Kow used: 5.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.7046 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.23E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.848E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.37  (KowWin est)
  Log Kaw used:  -9.879  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.249
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5745
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.1212  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.3077  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0409
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0376
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.11E-005 Pa (8.33E-008 mm Hg)
  Log Koa (Koawin est  ): 15.249
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.27 
       Octanol/air (Koa) model:  436 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.907 
       Mackay model           :  0.956 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.3292 E-12 cm3/molecule-sec
      Half-Life =     2.007 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.085 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.931 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.514E+004
      Log Koc:  4.814 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.438 (BCF = 2740)
       log Kow used: 5.37 (estimated)

 Volatilization from Water:
    Henry LC:  3.23E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.516E+008  hours   (1.465E+007 days)
    Half-Life from Model Lake : 3.836E+009  hours   (1.598E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              86.41  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    85.67  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.32e-005       48.2         1000       
   Water     2.22            4.32e+003    1000       
   Soil      74.1            8.64e+003    1000       
   Sediment  23.6            3.89e+004    0          
     Persistence Time: 1.06e+004 hr

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