3,5-Dichloronitrobenzene

• Formula: C₆H₃Cl₂NO₂
• Molecular weight: 192.000
• IUPAC Standard InChI: InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H Copy

  
• IUPAC Standard InChIKey: RNABGKOKSBUFHW-UHFFFAOYSA-N Copy
• CAS Registry Number: 618-62-2
• 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: Benzene, 1,3-dichloro-5-nitro-; m-Dichloronitrobenzene; meta-Dichloronitrobenzene; 1,3-Dichloro-5-nitrobenzene; 3,5-Dichloro-1-nitrobenzene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

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: John E. Bartmess

Electron affinity 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

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

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, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Buechner, 1906
Buechner, E.H., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1906, 54, 665. [all data]

Ribeiro da Silva, Lobo Ferreira, et al., 2009
Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.; Moreno, Ana Rita G., Experimental and computational thermochemical study of the dichloronitrobenzene isomers, The Journal of Chemical Thermodynamics, 2009, 41, 8, 904-910, https://doi.org/10.1016/j.jct.2009.03.001 . [all data]

Huh, Kang, et al., 1999
Huh, C.; Kang, C.H.; Lee, H.W.; Nakamura, H.; Mishima, M.; Tsuno, Y.; Yamataka, H., Thermodynamic stabilities and resonance demand of aromatic radical anions in the gas phase, Bull. Chem. Soc. Japan, 1999, 72, 5, 1083-1091, https://doi.org/10.1246/bcsj.72.1083 . [all data]

Mishima, Huh, et al., 1993
Mishima, M.; Huh, C.; Nakamura, H.; Fujio, M.; Tsuno, Y., Electron Affinities of Benzaldehydes. Substituent Effects on Stabilities of Aromatic Radical Anions., Tetrahed. Lett., 1993, 34, 26, 4223, https://doi.org/10.1016/S0040-4039(00)60533-6 . [all data]

Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S., Electron affinities and electron transfer reactions, Chem. Rev., 1987, 87, 513. [all data]

Shorygin and Egorova, 1958
Shorygin, P.P.; Egorova, Z.S., Dependence of indications of conjugation on the angle of rotation of metoxyl and dimethylamin groups relative to the plane of a benzene ring, Dokl. Akad. Nauk SSSR, 1958, 121, 5, 869-872. [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  Tfus	Fusion (melting) point
  ΔsubH°	Enthalpy of sublimation at standard conditions

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