Tetrachloroisophthalonitrile

• Formula: C₈Cl₄N₂
• Molecular weight: 265.911
• IUPAC Standard InChI: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 Copy

  
• IUPAC Standard InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N Copy
• CAS Registry Number: 1897-45-6
• 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: 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-; Isophthalonitrile, tetrachloro-; m-Tetrachlorophthalodinitrile; Bravo; Bravo 6F; Chlorthalonil; Daconil; Daconil 2787; DAC 2787; Forturf; Nopcocide N 96; Sweep; Termil; Tetrachloro-m-phthalodinitrile; Tetrachloroisophthalodinitrile; Tpn (pesticide); 1,3-Dicyanotetrachlorobenzene; 2,4,5,6-Tetrachloroisophthalonitrile; Bravo-W-75; Chloroalonil; Daconil 2787 flowable fungicide; Dacosoil; Exotherm; Exotherm termil; Isophthalonitrile, 2,4,5,6-tetrachloro-; NCI-C00102; Nopcocide; Nopcocide N40D & N96; Tetrachlorisoftalonitril; 2,4,5,6-Tetrachloro-3-cyanobenzonitrile; meta-Tetrachlorophthalodinitrile; m-Tetrachlorophthalonitrile; m-TCPN; TPN; 1,3-Dicyano-2,4,5,6-tetrachlorobenzene; 2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile; 2,4,5,6-Tetrachloro-1,3-dicyanobenzene; Chlorothalonil; Benzenedicarbonitrile, 2,4,5,6-tetrachloro-; Bravo 500; Clortosip; Faber; Repulse; Siclor; Tetrachloro-1,3-dicyanobenzene; Tripart faber; Tripart ultrafaber; Vanox; Daconil 1000; Daconil M; Dakoflo; Hortyl; 2,4,5,6-Tetrachloro-1,3-isophthalonitrile; Bravo 720; Bravo Ultrex; Tetrachlorobenzene-1,3-dicarbonitrile; Thalonil; Tuffcide; Taloberg; Sipcam UK rover 500; Nuocide; 101963-73-9; 342632-51-3; 37223-69-1
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

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

Gas Chromatography

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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

Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

An, Yan, et al., 1982
An, X.-W.; Yan, H.; Hu, R.-H., Determination of heats of combustion and enthalpies of formation of p-chlorobenzoic acid, squalane and perchloro-m-dicyanobenzene by means of rotating-bomb combustion calorimetry, Acta Chim. Sin., 1982, 40, 713-719. [all data]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Plato, 1972
Plato, C., DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals, Anal. Chem., 1972, 44, 1531. [all data]

Goel, McConnell, et al., 2007
Goel, Anubha; McConnell, Laura L.; Torrents, Alba, Determination of vapor pressure-temperature relationships of current--use pesticides and transformation products, Journal of Environmental Science and Health, Part B, 2007, 42, 4, 343-349, https://doi.org/10.1080/03601230701309494 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Pablo, 2000
Pablo, R.S. De, The vapour pressure of tetrachloroisophthalonitrile by the effusion method, J. Phys. D: Appl. Phys., 2000, 13, 2, 313-319, https://doi.org/10.1088/0022-3727/13/2/028 . [all data]

Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T., A new gas chromatographic retention index for pesticides and related compounds, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503 . [all data]

Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A., New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry, J. AOAC Int., 2000, 83, 1, 61-77. [all data]

Hayakawa, Niinomi, et al., 1990
Hayakawa, S.; Niinomi, J.; Kato, S.; Kanamaru, T., Retention time and mass number of agrochemicals by capillary column GC/MS, Mie-ken Kankyo-Kagaku Senta-kenkyu-ho-koku (Report of the Environmental Science Institute of Mie Prefecture), 1990, 10, 53-56. [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
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

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