Benzene, 1-bromo-4-methyl-

• Formula: C₇H₇Br
• Molecular weight: 171.034
• IUPAC Standard InChI: InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: ZBTMRBYMKUEVEU-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-38-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Toluene, p-bromo-; p-Bromotoluene; p-Methylbromobenzene; p-Methylphenyl bromide; p-Tolyl bromide; 1-Bromo-4-methylbenzene; 4-Bromo-1-methylbenzene; 4-Bromotoluene; 4-Methyl-1-bromobenzene; 4-Methylbromobenzene; 4-Methylphenyl bromide; 1-Methyl-4-bromobenzene; Parabromotoluene; 4-Tolyl bromide; NSC 6531
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• Information on this page:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Condensed phase 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

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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₇H₆Br^- +  =

By formula: C₇H₆Br^- + H⁺ = C₇H₇Br

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Holm, 1973
Holm, T., Thermochemistry of Grignard reagents. Enthalpies of formation of alkylmagnesium bromides and of alkyl bromides, J. Organomet. Chem., 1973, 56, 87-93. [all data]

Wenthold, Wierschke, et al., 1994
Wenthold, P.G.; Wierschke, S.G.; Nash, J.J.; Squires, R.R., Biradical thermochemistry from collision-induced dissociation threshold energy measurements .2. Experimental and theoretical studies of the Mechanism and Thermochemistry of Formation of alph, J. Am. Chem. Soc., 1994, 116, 16, 7378, https://doi.org/10.1021/ja00095a048 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References

• Symbols used in this document:
  

  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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