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Search term: 2897-43-0 (Found by approved synonym)
ChemSpider 2D Image | 2,6-Dichloro-3-nitro-4-pyridinamine | C5H3Cl2N3O2

2,6-Dichloro-3-nitro-4-pyridinamine

  • Molecular FormulaC5H3Cl2N3O2
  • Average mass208.002 Da
  • Monoisotopic mass206.960236 Da
  • ChemSpider ID249030

More details:

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

2,6-Dichlor-3-nitro-4-pyridinamin [German] [ACD/IUPAC Name]
2,6-Dichloro-3-nitro-4-pyridinamine [ACD/IUPAC Name]
2,6-Dichloro-3-nitro-4-pyridinamine [French] [ACD/IUPAC Name]
2,6-dichloro-3-nitropyridin-4-amine
2897-43-0 [RN]
4-Amino-2,6-dichloro-3-nitropyridine
4-Pyridinamine, 2,6-dichloro-3-nitro- [ACD/Index Name]
MFCD03265754 [MDL number]
[2897-43-0] [RN]
1,4,7,10,13,16-hexazacyclooctadecane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
NSC136572 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 426.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 211.8±27.3 °C
    Index of Refraction: 1.667
    Molar Refractivity: 44.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.61
    ACD/KOC (pH 5.5): 577.47
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.61
    ACD/KOC (pH 7.4): 577.47
    Polar Surface Area: 85 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 74.4±3.0 dyne/cm
    Molar Volume: 120.7±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) =  2.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  326.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  120.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.31E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000472 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):  616.8
       log Kow used: 2.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1730.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.70E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.356E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.12  (KowWin est)
  Log Kaw used:  -4.716  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.836
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4097
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8076  (months      )
   Biowin4 (Primary Survey Model) :   2.9815  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2649
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0853
 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):  0.0629 Pa (0.000472 mm Hg)
  Log Koa (Koawin est  ): 6.836
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.77E-005 
       Octanol/air (Koa) model:  1.68E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00172 
       Mackay model           :  0.0038 
       Octanol/air (Koa) model:  0.000135 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.2633 E-12 cm3/molecule-sec
      Half-Life =     8.466 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   101.597 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00276 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  141.2
      Log Koc:  2.150 

 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 = 0.932 (BCF = 8.543)
       log Kow used: 2.12 (estimated)

 Volatilization from Water:
    Henry LC:  4.7E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1798  hours   (74.92 days)
    Half-Life from Model Lake : 1.974E+004  hours   (822.3 days)

 Removal In Wastewater Treatment:
    Total removal:               2.40  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.27  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.36            203          1000       
   Water     25              1.44e+003    1000       
   Soil      73.5            2.88e+003    1000       
   Sediment  0.115           1.3e+004     0          
     Persistence Time: 1.37e+003 hr

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