ChemSpider 2D Image | Bromine trifluoride | BrF3

Bromine trifluoride

  • Molecular FormulaBrF3
  • Average mass136.899 Da
  • Monoisotopic mass135.913544 Da
  • ChemSpider ID22996

More details:






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

Bromine trifluoride
232-132-1 [EINECS]
7787-71-5 [RN]
Bromine fluoride
Bromine, trifluoro- [ACD/Index Name]
Trifluoro-λ3-bromane [ACD/IUPAC Name]
Trifluoro-λ3-bromane [French] [ACD/IUPAC Name]
Trifluor-λ3-broman [German] [ACD/IUPAC Name]
UNII-BD697HEL7X
Brominetrifluoride
More...

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

HSDB 323 [DBID]
HSDB 7483 [DBID]
UN1746 [DBID]
UNII:BD697HEL7X [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      fuming colourless or light yellow liquid, OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Strong oxidising agent - reacts with combustible materials,metals, acids, water. Decomposes in water. Explosion risk.Non-flammable, but fire-promoting. OU Chemical Safety Data (No longer updated) More details
    • Safety:

      Safety glasses and gloves. Good ventilation. OU Chemical Safety Data (No longer updated) More details

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

Density:
Boiling Point: 135.0±9.0 °C at 760 mmHg
Vapour Pressure: 4.9±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.62

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  476.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  155.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.46E-008  (Modified Grain method)
    Subcooled liquid VP: 3.11E-007 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):  4622
       log Kow used: 0.62 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22019 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   2.45E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.690E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6824
   Biowin2 (Non-Linear Model)     :   0.7436
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8966  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6502  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3570
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  4.15E-005 Pa (3.11E-007 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0723 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.723 
       Mackay model           :  0.853 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.788 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.62 (estimated)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.222  hours
    Half-Life from Model Lake :      111.4  hours   (4.643 days)

 Removal In Wastewater Treatment:
    Total removal:              90.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.40  percent
    Total to Air:               90.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       41.1            1e+005       1000       
   Water     53.2            360          1000       
   Soil      5.57            720          1000       
   Sediment  0.101           3.24e+003    0          
     Persistence Time: 175 hr




                    

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