Bicyclo[4.1.0]hepta-1,3,5-triene

• Formula: C₇H₆
• Molecular weight: 90.1225
• IUPAC Standard InChI: InChI=1S/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H2 Copy

  
• IUPAC Standard InChIKey: AMSMVCOBCOZLEE-UHFFFAOYSA-N Copy
• CAS Registry Number: 4646-69-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1,3,5-Norcaratriene; Benzocyclopropene; Cyclopropabenzene
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

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Individual Reactions

 +  =

By formula: C₇H₆ + CH₄O = C₈H₁₀O

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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₇H₆⁺ (ion structure unspecified)

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

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Billups, Chow, et al., 1973
Billups, W.E.; Chow, W.Y.; Leavell, K.H.; Lewis, E.S.; Margrave, J.L.; Sass, R.L.; Shieh, J.J.; Werness, P.G.; Wood, J.L., Structure and thermochemistry of benzocyclopropenes. Bond fixation and strain energy, J. Am. Chem. Soc., 1973, 95, 7878-7880. [all data]

Lecoultre, Heilbronner, et al., 1988
Lecoultre, J.; Heilbronner, E.; Muller, P.; Rodriguez, D., The influence of fluoro substituents on cyclopropa, -benzene, -naphthalene, and -anthracene, Collect. Czech. Chem. Commun., 1988, 53, 2385. [all data]

Brogli, Giovannini, et al., 1973
Brogli, F.; Giovannini, E.; Heilbronner, E.; Schurter, R., Die photoelektronen spektren der benzocycloalkene, Chem. Ber., 1973, 106, 961. [all data]

Notes

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

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

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