ChemSpider 2D Image | Bromine | Br2

Bromine

  • Molecular FormulaBr2
  • Average mass159.808 Da
  • Monoisotopic mass157.836655 Da
  • ChemSpider ID22817

More details:



Featured data source



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

7726-95-6 [RN]
Br2 [Formula]
Brom [German] [ACD/IUPAC Name]
Brome [French] [ACD/IUPAC Name]
Bromine [ACD/Index Name] [ACD/IUPAC Name]
Broom [Dutch]
Dibrome [French]
dibromine
Dibroom [Dutch]
Molecular bromine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

02002_RIEDEL [DBID]
16055_FLUKA [DBID]
207888_SIAL [DBID]
277576_SIAL [DBID]
30202_RIEDEL [DBID]
328138_ALDRICH [DBID]
38040_RIEDEL [DBID]
407186_SIAL [DBID]
470864_ALDRICH [DBID]
Caswell No. 112 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      amber liquid with a strong smell of bromine Oxford University Chemical Safety Data (No longer updated) More details
      dark red liquid or reddish-brown gas Oxford University Chemical Safety Data (No longer updated) More details
      Dark reddish-brown, fuming liquid with suffocating, irritating fumes. NIOSH EF9100000
    • Stability:

      Stable. Incompatible with reducing agents, alkali metals, powdered metals,steel, iron, copper, organic materials. Oxford University Chemical Safety Data (No longer updated) More details
      Stable. Releases bromine to the air on standing. Slowly diminishesin strength when exposed to air and light. Incompatible with ammonia, somemetals, phosphorus. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 2600 mg kg-1, ORL-MAM LD50 440 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      26-35-50 Alfa Aesar 00905, 33220, 87614
      7/9-26-45-61 Alfa Aesar 00905, 33220, 87614
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 00905, 33220, 87614
      Safety glasses and gloves. Good ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Safety glasses, good ventilation. Recommended gloves: nitrile. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH EF9100000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH EF9100000
    • Symptoms:

      Dizziness, headache; lacrimation (discharge of tears), epistaxis (nosebleed); cough, feeling of oppression, pulmonary edema, pneumonitis; abdominal pain, diarrhea; measle-like eruptions; eye, skin bur ns NIOSH EF9100000
    • Target Organs:

      respiratory system, eyes, central nervous system, skin NIOSH EF9100000
    • Incompatibility:

      Combustible organics (sawdust, wood, cotton, straw, etc.), aluminum, readily oxidizable materials, ammonia, hydrogen, acetylene, phosphorus, potassium, sodium [Note: Corrodes iron, steel, stainless st eel & copper.] NIOSH EF9100000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Eyewash, Quick drench NIOSH EF9100000
    • Exposure Limits:

      NIOSH REL : TWA 0.1 ppm (0.7 mg/m 3 ) ST 0.3 ppm (2 mg/m 3 ) OSHA PEL ?: TWA 0.1 ppm (0.7 mg/m 3 ) NIOSH EF9100000

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.9±0.1 g/cm3
Boiling Point: 58.8±9.0 °C at 760 mmHg
Vapour Pressure: 190.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.0±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.551
Molar Refractivity: 17.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.18
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: 6.9±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 54.9±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) =  1.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  512.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  202.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  220  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -7.25 deg C
    BP  (exp database):  58.8 deg C
    VP  (exp database):  2.12E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9077
       log Kow used: 1.03 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.5e+004 mg/L (20 deg C)
        Exper. Ref:  MILLS,JF (1985)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20661 mg/L
    Wat Sol (Exper. database match) =  35000.00
       Exper. Ref:  MILLS,JF (1985)

 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]:  5.096E-003 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)         :   0.6715
   Biowin2 (Non-Linear Model)     :   0.6769
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8460  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6172  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2367
   Biowin6 (MITI Non-Linear Model):   0.1103
 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):  2.83E+004 Pa (212 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.06E-010 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.83E-009 
       Mackay model           :  8.49E-009 
       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): 6.16E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.482E-008  L/mol-sec
  Kb Half-Life at pH 8: 8.849E+005  years  
  Kb Half-Life at pH 7: 8.849E+006  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.092 (BCF = 1.236)
       log Kow used: 1.03 (estimated)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.32  hours
    Half-Life from Model Lake :      120.4  hours   (5.017 days)

 Removal In Wastewater Treatment:
    Total removal:              90.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.42  percent
    Total to Air:               90.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56              1e+005       1000       
   Water     42.5            360          1000       
   Soil      1.38            720          1000       
   Sediment  0.0857          3.24e+003    0          
     Persistence Time: 146 hr




                    

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