InChI=1/BrH/h1H

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Inherent Properties, Identifiers and References

ChemSpider ID:	255
Empirical Formula:	HBr
Molecular Weight:	80.9119
Nominal Mass:	80 Da
Average Mass:	80.9119 Da
Monoisotopic Mass:	79.926155 Da

Systematic Name:

hydrogen bromide

SMILES:

Br Copy

InChI:

InChI=1/BrH/h1H Copy

InChIKey:

CPELXLSAUQHCOX-UHFFFAOYAZ

Std. InChI:

InChI=1S/BrH/h1H Copy

Std. InChIKey:

CPELXLSAUQHCOX-UHFFFAOYSA-N

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Patents

Articles

Identifiers

Predicted Properties

Pred. Prop. (ACD/Labs)
Pred. Prop. (EPISuite)
NMRShiftDB
Exptl. Prop.

ACD/LogP:	0.00	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0	ACD/LogD (pH 7.4):	0
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	0 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	19.92 kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	20200 mmHg at 25°C

                    
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  476.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  178.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.94E-009  (Modified Grain method)
    Subcooled liquid VP: 3.14E-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):  3.785e+004
       log Kow used: 0.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38762 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:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.233E-014 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)         :   0.7090
   Biowin2 (Non-Linear Model)     :   0.8653
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0204  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7310  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4714
   Biowin6 (MITI Non-Linear Model):   0.5473
 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):  4.19E-005 Pa (3.14E-007 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0717 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.721 
       Mackay model           :  0.851 
       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): 0.786 (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]:
    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: 0.63 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-014 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 2.358E+010  hours   (9.826E+008 days)
    Half-Life from Model Lake : 2.573E+011  hours   (1.072E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.27e-006       1e+005       1000       
   Water     36.9            360          1000       
   Soil      63              720          1000       
   Sediment  0.0702          3.24e+003    0          
     Persistence Time: 593 hr

User Data

experimental physchem properties

Melting Point: -87 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Melting Point: -86 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: -88F

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: -67 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 126 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: 65(149F)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Freezing Point: -124F

No description available

Specific Gravity: 1.420

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 1.490

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 1.490

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 1.490

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Solubility: 49%

No description available

Ionization Potential: 11.62 eV

No description available

Vapor Pressure: 20 atm

No description available

miscellaneous

Appearance: Colorless gas with a sharp, irritating odor. [Note: Shipped as a liquefied compressed gas. Often used in an aqueous solution.]

Visual appearance of the given substance.

Appearance: colourless gas with a pungent, suffocating odour

Visual appearance of the given substance.

Appearance: colourless liquid with a strong irritating odour

Visual appearance of the given substance.

Stability: Stable. Incompatible with strong oxidizing agents, strong bases. Fumes in moist air. Take steps to ensure that suck-back into cylinder cannot occur.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Stability: Stable. Incompatible with strong bases, strong oxidizing agents, ammonia, ozone, fluorine, water, metals. Air and light sensitive.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Safety: DANGER: CORROSIVE, burns skin and eyes

See Chemical Safety

Safety: DANGER: CORROSIVE, burns skin and eyes

See Chemical Safety

Safety: DANGER: CORROSIVE, burns skin and eyes

See Chemical Safety

Safety: DANGER: CORROSIVE, burns skin and eyes

See Chemical Safety

Safety: Safety glasses, gloves and good ventilation. Do not use in the open laboratory.

See Chemical Safety

Safety: Safety glasses, gloves and good ventilation.

See Chemical Safety

First Aid: Eye: Irrigate immediately (solution)/Frostbite Skin: Water flush immediately (solution)/Frostbite Breathing: Respiratory support Swallow: Medical attention immediately (solution)

No description available

Exposure Routes: inhalation, ingestion (solution), skin and/or eye contact

No description available

Symptoms: Irritation eyes, skin, nose, throat; solution: eye, skin burns; liquid: frostbite

No description available

Target Organs: Eyes, skin, respiratory system

No description available

Incompatibilities and Reactivities: Strong oxidizers, strong caustics, moisture, copper, brass, zinc [Note: Hydrobromic acid is highly corrosive to most metals.]

No description available

Personal protection and Sanitation: Skin: Prevent skin contact (solution)/Frostbite Eyes: Prevent eye contact (solution)/Frostbite Wash skin: When contaminated (solution) Remove: When wet or contaminated (solution) Change: No recommenda tion Provide: Eyewash (liquid), Quick drench (solution), Frostbite wash

No description available

Exposure Limits: NIOSH REL : C 3 ppm (10 mg/m 3 ) OSHA PEL ?: TWA 3 ppm (10 mg/m 3 )

No description available

Medical Subject Headings Classification

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