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Search term: 3430-18-0 (Found by approved synonym)
ChemSpider 2D Image | 2,5-Dibromo-3-picoline | C6H5Br2N

2,5-Dibromo-3-picoline

  • Molecular FormulaC6H5Br2N
  • Average mass250.919 Da
  • Monoisotopic mass248.878860 Da
  • ChemSpider ID714347

More details:

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

2,5-Dibrom-3-methylpyridin [German] [ACD/IUPAC Name]
2,5-Dibromo-3-methylpyridine [ACD/IUPAC Name]
2,5-Dibromo-3-méthylpyridine [French] [ACD/IUPAC Name]
2,5-Dibromo-3-picoline
3430-18-0 [RN]
Pyridine, 2,5-dibromo-3-methyl- [ACD/Index Name]
[3430-18-0] [RN]
141315-43-7 [RN]
2, 5-Dibromo-3-picoline
2,5-dibromo-3- methylpyridine
More...

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

MFCD02093085 [DBID]
637661_ALDRICH [DBID]
652865_ALDRICH [DBID]
AC-907/30003010 [DBID]
CCRIS 4693 [DBID]
E4 [DBID]
ZINC00331806 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Safety:

      20/21/22-36/37/38 Alfa Aesar H27142
      6.1 Alfa Aesar H27142
      9-26-36/37 Alfa Aesar H27142
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar H27142
      H302-H312-H332-H315-H319-H335 Alfa Aesar H27142
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H27142
      Warning Alfa Aesar H27142

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

Density: 1.9±0.1 g/cm3
Boiling Point: 260.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 111.1±25.9 °C
Index of Refraction: 1.594
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.17
ACD/KOC (pH 5.5): 852.20
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.17
ACD/KOC (pH 7.4): 852.20
Polar Surface Area: 13 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 131.3±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) =  3.13

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  243.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  53.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0205  (Modified Grain method)
    Subcooled liquid VP: 0.0373 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):  49.46
       log Kow used: 3.13 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1927.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.24E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.368E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.13  (KowWin est)
  Log Kaw used:  -4.295  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.425
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3075
   Biowin2 (Non-Linear Model)     :   0.0069
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0836  (months      )
   Biowin4 (Primary Survey Model) :   3.0914  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3236
   Biowin6 (MITI Non-Linear Model):   0.1643
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9145
 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):  4.97 Pa (0.0373 mm Hg)
  Log Koa (Koawin est  ): 7.425
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.03E-007 
       Octanol/air (Koa) model:  6.53E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.18E-005 
       Mackay model           :  4.83E-005 
       Octanol/air (Koa) model:  0.000522 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3103 E-12 cm3/molecule-sec
      Half-Life =    34.472 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.5E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  143.1
      Log Koc:  2.156 

 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 = 1.711 (BCF = 51.46)
       log Kow used: 3.13 (estimated)

 Volatilization from Water:
    Henry LC:  1.24E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      749.5  hours   (31.23 days)
    Half-Life from Model Lake :       8310  hours   (346.2 days)

 Removal In Wastewater Treatment:
    Total removal:               7.02  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.82  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.46            827          1000       
   Water     14.5            1.44e+003    1000       
   Soil      83.6            2.88e+003    1000       
   Sediment  0.496           1.3e+004     0          
     Persistence Time: 1.74e+003 hr

Click to predict properties on the Chemicalize site


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