Acetonitrile, bromo-

• Formula: C₂H₂BrN
• Molecular weight: 119.948
• IUPAC Standard InChI: InChI=1S/C2H2BrN/c3-1-2-4/h1H2 Copy

  
• IUPAC Standard InChIKey: REXUYBKPWIPONM-UHFFFAOYSA-N Copy
• CAS Registry Number: 590-17-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Bromoacetonitrile; Bromomethyl cyanide; Cyanomethyl bromide; 2-Bromoacetonitrile
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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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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.

Botter, Gounelle, et al., 1977
Botter, R.; Gounelle, Y.; Henry, Y.; Jullien, J.; Menes, F.; Solgadi, D., Photoelectron spectra of halogeno-3-propynes (XCH₂≡CH) and halogeno- methylcyanides (XCH₂C≡N) and comments on the attribution of fluorine IP, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 393. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Notes

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