Benzonitrile, 2-chloro-

• Formula: C₇H₄ClN
• Molecular weight: 137.566
• IUPAC Standard InChI: InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H Copy

  
• IUPAC Standard InChIKey: NHWQMJMIYICNBP-UHFFFAOYSA-N Copy
• CAS Registry Number: 873-32-5
• Chemical structure:
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• Other names: Benzonitrile, o-chloro-; o-Chlorobenzonitrile; o-Chlorocyanobenzene; o-Cyanochlorobenzene; 2-Chlorobenzonitrile; o-Chlorbenzonitril; Nitril kyseliny o-chlorbenzoove; 2-Chlorobenzoic acid nitrile
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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Additional Data

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

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.

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]

Aim, 1994
Aim, Karel, A modified ebulliometric method for high-boiling substances: vapour pressures of 2-chlorobenzonitrile and 4-chlorobenzonitrile at temperatures from 380 K to 490 K, The Journal of Chemical Thermodynamics, 1994, 26, 9, 977-986, https://doi.org/10.1006/jcht.1994.1115 . [all data]

Buchs, 1970
Buchs, A., Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues, Helv. Chim. Acta, 1970, 53, 2026. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

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