Isopropenyl bromide

• Formula: C₃H₅Br
• Molecular weight: 120.976
• IUPAC Standard InChI: InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3 Copy

  
• IUPAC Standard InChIKey: PHMRPWPDDRGGGF-UHFFFAOYSA-N Copy
• CAS Registry Number: 557-93-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Propene, 2-bromo-; 1-Propene, 2-bromo-; α-Methylvinyl bromide; 2-Bromo-1-propene; 2-Bromopropene; 2-Bromopropylene; CH3CBr=CH2; Isopropylene bromide; NSC 87535
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change 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: Robert L. Brown and Stephen E. Stein

Gas phase ion energetics 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C₃H₅Br⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Chadwick, Frost, et al., 1972
Chadwick, D.; Frost, D.C.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of some bromoethylenes and 2-bromopropene, Can. J. Chem., 1972, 50, 2642. [all data]

Burgers, Holmes, et al., 1983
Burgers, P.C.; Holmes, J.L.; Mommers, A.A.; Szulejko, J.E., The collisionally induced dissociation of allyl and 2-propenyl cations, Org. Mass Spectrom., 1983, 18, 596. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

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