Bromoacetone

• Formula: C₃H₅BrO
• Molecular weight: 136.975
• IUPAC Standard InChI: InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: VQFAIAKCILWQPZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 598-31-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2-Propanone, 1-bromo-; α-Bromoacetone; Acetonyl bromide; Acetylmethyl bromide; 1-Bromo-2-propanone; CH3COCH2Br; 2-Propanone, bromo-; Bromomethyl methyl ketone; Bromo-2-propanone; B-Stoff; Martonite; Monobromoacetone; Rcra waste number P017; UN 1569; 1-Bromoacetone; α-Bromopropanone
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  =  + 

By formula: HBr + C₃H₅BrO = C₃H₆O + Br₂

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the gas-phase equilibrium CH₃COCH₃ + Br₂ = CH₃COCH₂Br + HBr. The enthalpy of formation of bromoacetone, J. Chem. Thermodyn., 1971, 3, 129-134. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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