Ethane, 1-bromo-2-chloro-

• Formula: C₂H₄BrCl
• Molecular weight: 143.410
• IUPAC Standard InChI: InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2 Copy

  
• IUPAC Standard InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N Copy
• CAS Registry Number: 107-04-0
• 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: β-Chloroethyl bromide; s-Chlorobromoethane; Ethylene chlorobromide; 1-Bromo-2-chloroethane; 1-Chloro-2-bromoethane; 1,2-Bromochloroethane; 1,2-Chlorobromoethane; 2-Bromo-1-chloroethane; 2-Bromoethyl chloride; 2-Chloroethyl bromide; CH2BrCH2Cl; sym-Chlorobromoethane; NSC 60186
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas Chromatography
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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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% CCl4 FOR 2.6-7.5, 10% CS2 FOR 7.5-26 MICRON); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

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

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Trans form     Symmetry:   C_s     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C₁     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L., Stabilities of isomeric halonium ions C₂H₄X⁺ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions, J. Am. Chem. Soc., 1979, 101, 1239. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y., Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy, J. Am. Chem. Soc., 1985, 107, 8078. [all data]

Carnovale, Gan, et al., 1979
Carnovale, F.; Gan, T.H.; Peel, J.B., Photoelectron spectra of the gauche and trans conformers of 1,2-bromochloroethane, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 87. [all data]

Chau and McDowell, 1976
Chau, F.T.; McDowell, C.A., Photoelectron spectra of 1,2-dibromo-1,1-difluoroethane, 1,2-bromochloroethane, and 1,2-dichloro-, 1,2-dibromo-, and 1,2-diiodotetrafluoroethane, J. Phys. Chem., 1976, 80, 2923. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy

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