Found 1 result

Search term: 615-57-6 (Found by approved synonym)
ChemSpider 2D Image | 2,4-Dibromoaniline | C6H5Br2N

2,4-Dibromoaniline

  • Molecular FormulaC6H5Br2N
  • Average mass250.919 Da
  • Monoisotopic mass248.878860 Da
  • ChemSpider ID11509

More details:

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

2,4-Dibromanilin [German] [ACD/IUPAC Name]
2,4-Dibromoaniline [ACD/IUPAC Name]
2,4-Dibromoaniline [French] [ACD/IUPAC Name]
2,4-Dibromobenzenamine
210-434-4 [EINECS]
615-57-6 [RN]
Benzenamine, 2,4-dibromo- [ACD/Index Name]
ZR BE DE [WLN]
(2,4-Dibromophenyl)amine
[615-57-6] [RN]
More...

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

2206653 [Beilstein] [DBID]
CCRIS 4693 [DBID]
D38405_ALDRICH [DBID]
MFCD00007633 [DBID] [MDL number]
NCIOpen2_005148 [DBID]
NSC 88324 [DBID]
NSC88324 [DBID]
ZINC00404349 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 264.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 114.0±21.8 °C
Index of Refraction: 1.661
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.34
ACD/KOC (pH 5.5): 760.32
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.35
ACD/KOC (pH 7.4): 760.48
Polar Surface Area: 26 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 124.1±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) =  2.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  280.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  72.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00166  (Modified Grain method)
    MP  (exp database):  79.5 deg C
    BP  (exp database):  156 @ 74 mm Hg deg C
    Subcooled liquid VP: 0.00547 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):  85.08
       log Kow used: 2.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1458.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.02E-007  atm-m3/mole
   Group Method:   3.79E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.442E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.86  (KowWin est)
  Log Kaw used:  -4.908  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.768
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1737
   Biowin2 (Non-Linear Model)     :   0.0030
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2377  (months      )
   Biowin4 (Primary Survey Model) :   3.0703  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1662
   Biowin6 (MITI Non-Linear Model):   0.0704
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2720
 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):  0.729 Pa (0.00547 mm Hg)
  Log Koa (Koawin est  ): 7.768
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.11E-006 
       Octanol/air (Koa) model:  1.44E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000149 
       Mackay model           :  0.000329 
       Octanol/air (Koa) model:  0.00115 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.8430 E-12 cm3/molecule-sec
      Half-Life =     1.210 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.515 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000239 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  119.9
      Log Koc:  2.079 

 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 = 1.499 (BCF = 31.56)
       log Kow used: 2.86 (estimated)

 Volatilization from Water:
    Henry LC:  3.79E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2449  hours   (102 days)
    Half-Life from Model Lake : 2.685E+004  hours   (1119 days)

 Removal In Wastewater Treatment:
    Total removal:               4.68  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.55  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.502           29           1000       
   Water     15.9            1.44e+003    1000       
   Soil      83.3            2.88e+003    1000       
   Sediment  0.288           1.3e+004     0          
     Persistence Time: 1.65e+003 hr

Click to predict properties on the Chemicalize site


Advertisement