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Search term: 39771-34-1 (Found by approved synonym)
ChemSpider 2D Image | 2,6-Dibromo-4-pyridinamine | C5H4Br2N2

2,6-Dibromo-4-pyridinamine

  • Molecular FormulaC5H4Br2N2
  • Average mass251.907 Da
  • Monoisotopic mass249.874115 Da
  • ChemSpider ID13756729

More details:

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

2,6-Dibrom-4-pyridinamin [German] [ACD/IUPAC Name]
2,6-Dibromo-4-pyridinamine [ACD/IUPAC Name]
2,6-Dibromo-4-pyridinamine [French] [ACD/IUPAC Name]
2,6-dibromopyridin-4-amine
39771-34-1 [RN]
4-Amino-2,6-dibromopyridine
4-Pyridinamine, 2,6-dibromo- [ACD/Index Name]
"2,6-DIBROMOPYRIDIN-4-AMINE"|"2,6-DIBROMOPYRIDIN-4-AMINE"
(2,6-Dibromopyridin-4-yl)amine
[39771-34-1] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
E4 [DBID]

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 373.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.8±26.5 °C
    Index of Refraction: 1.673
    Molar Refractivity: 44.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.92
    ACD/KOC (pH 5.5): 327.50
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.92
    ACD/KOC (pH 7.4): 327.51
    Polar Surface Area: 39 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 61.3±3.0 dyne/cm
    Molar Volume: 117.3±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) =  1.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  287.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00087  (Modified Grain method)
    Subcooled liquid VP: 0.00372 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):  869.6
       log Kow used: 1.67 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21821 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aromatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.96E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.316E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.67  (KowWin est)
  Log Kaw used:  -7.791  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.461
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0186
   Biowin2 (Non-Linear Model)     :   0.0006
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0214  (months      )
   Biowin4 (Primary Survey Model) :   3.0502  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1215
   Biowin6 (MITI Non-Linear Model):   0.0396
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0085
 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):  0.496 Pa (0.00372 mm Hg)
  Log Koa (Koawin est  ): 9.461
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.05E-006 
       Octanol/air (Koa) model:  0.00071 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000218 
       Mackay model           :  0.000484 
       Octanol/air (Koa) model:  0.0537 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.0947 E-12 cm3/molecule-sec
      Half-Life =     1.321 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.856 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000351 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  117.5
      Log Koc:  2.070 

 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 = 0.584 (BCF = 3.837)
       log Kow used: 1.67 (estimated)

 Volatilization from Water:
    Henry LC:  3.96E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.347E+006  hours   (9.778E+004 days)
    Half-Life from Model Lake :  2.56E+007  hours   (1.067E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               2.03  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.94  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       0.00335         31.7         1000       
   Water     30.8            1.44e+003    1000       
   Soil      69.1            2.88e+003    1000       
   Sediment  0.0883          1.3e+004     0          
     Persistence Time: 1.6e+003 hr

    Click to predict properties on the Chemicalize site


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