1-Propyne, 3-bromo-

• Formula: C₃H₃Br
• Molecular weight: 118.960
• IUPAC Standard InChI: InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2 Copy

  
• IUPAC Standard InChIKey: YORCIIVHUBAYBQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-96-7
• 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: Propyne, 3-bromo-; Propargyl bromide; 1-Bromo-2-propyne; 2-Propynyl bromide; 3-Bromo-1-propyne; 3-Bromopropyne; γ-Bromoallylene; 1-Brom-2-propin; UN 2345; Progargyl bromide; NSC 8801
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• Information on this page:
  • IR Spectrum
  • UV/Visible spectrum
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C_s     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Notes

References

Go To: Top, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Notes

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

Perkampus and Braunschweig, 1966
Perkampus, H.-H.; Braunschweig, T.H., UV atlas of organik compounds, 1966, 1, A2/1. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]

Notes

Go To: Top, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, References

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