Benzene, 1-bromo-4-(methylthio)-

• Formula: C₇H₇BrS
• Molecular weight: 203.099
• IUPAC Standard InChI: InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: YEUYZNNBXLMFCW-UHFFFAOYSA-N Copy
• CAS Registry Number: 104-95-0
• 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: p-Bromo(methylthio)benzene; 1-Bromo-4-(methylthio)benzene; 4-Bromo(methylthio)benzene; p-Bromophenyl methyl sulfide; 4-Bromophenyl methyl sulfide; p-Bromothioanisole; 4-Bromothioanisole; p-(Methylthio)phenyl bromide; Sulfide, p-bromophenyl methyl; Methyl 4-bromophenylsulfide; NSC 73383; 4-bromophenyl methyl sulphide
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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 by: Robert L. Brown and Stephen E. Stein

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

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

Gas Phase 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.

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Baker, Armen, et al., 1981
Baker, A.D.; Armen, G.H.; Guang-di, Y., Photoelectron spectra of alkyl aryl selenides. Electronic and steric factors in the observation of rotamers, J. Org. Chem., 1981, 46, 4127. [all data]

Colonna, Danieli, et al., 1976
Colonna, F.P.; Danieli, R.; Distefano, G.; Ricci, A., The electronic effect of XMe₃ and CH₂XMe₃ (X=Si, Ge, Sn, or Pb) substituents in organometallic sulphides. A kinetic and photoelectron spectroscopic study, J. Chem. Soc. Perkin Trans. 2, 1976, 306. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point

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