Benzene, (2-nitroethenyl)-

• Formula: C₈H₇NO₂
• Molecular weight: 149.1467
• IUPAC Standard InChI: InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H Copy

  
• IUPAC Standard InChIKey: PIAOLBVUVDXHHL-UHFFFAOYSA-N Copy
• CAS Registry Number: 102-96-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • [(Z)-2-nitroethenyl]benzene
  • Styrene, β-nitro-, (E)-
• Other names: Styrene, β-nitro-; β-Nitrostyrene; ω-Nitrostyrene; (2-Nitrovinyl)benzene; 1-Nitro-2-phenylethylene; 1-Phenyl-2-nitroethene; BNS; NCI-C02211; 2-Nitro-1-phenylethylene; Styrene, beta-nitro; 2-Nitroethenylbenzene; NSC 9809
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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.

Young, Keith, et al., 1956
Young, J.A.; Keith, J.E.; Stehle, P.; Dzombak, W.C.; Hunt, H., Heats of combustion of some organic nitrogen compounds, Ind. Eng. Chem., 1956, 48, 1375-1378. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Kamlet, 1955
Kamlet, M.J., The Michael Reaction in Non-alkaline Media I. The Synthesis of 5-(2-Nitro-1-aryl)barbituric Acids, J. Am. Chem. Soc., 1955, 77, 4896-8. [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions

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