Phenol, 2-methyl, 4,6-dinitro-

• Formula: C₇H₆N₂O₅
• Molecular weight: 198.1329
• IUPAC Standard InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 Copy

  
• IUPAC Standard InChIKey: ZXVONLUNISGICL-UHFFFAOYSA-N Copy
• CAS Registry Number: 534-52-1
• 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: o-Cresol, 4,6-dinitro-; Antinonin; Antinonnin; Arborol; Degrassan; Dekrysil; Detal; Dillex; Dinitro; Dinitro-o-cresol; Dinitrocresol; Dinitrodendtroxal; Dinitrol; Dinoc; Dinurania; Ditrosol; Dn; Dnoc; Effusan; Effusan 3436; Elgetol; Elgetol 30; Elipol; Extrar; Hedolit; Hedolite; K III; K IV; Kresamone; Krezotol 50; Lipan; Nitrofan; Prokarbol; Rafex; Rafex 35; Raphatox; Sandolin; Sandolin A; Selinon; Sinox; Winterwash; 2-Methyl-4,6-dinitrophenol; 2,4-Dinitro-6-methylphenol; 3,5-Dinitro-2-hydroxytoluene; 4,6-Dinitro-o-cresol; 6-Methyl-2,4-dinitrophenol; Capsine; Dn-dry mix no. 2; Dnok; Dwunitro-o-krezol; DNC; Krenite; Le dinitrocresol-4,6; Nitrador; Trifocide; Zahlreiche bezeichnungen; 2,4-Dinitro-o-cresol; 4,6-Dinitro-o-cresolo; 4,6-Dinitro-o-kresol; 4,6-Dinitrokresol; Chemsect DNOC; C.I. 10310; Detol; DINOK; ENT 154; Kresonite-E; Oranz viktoria; RCRA Waste number P047; Trifrina; 4,6-Dinitro-2-methylphenol; 4,6-Dinitrocresol; 4,6-DNOC; Dinitrosol; Elgetox; Flavin-Sandoz
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1330 AND NUJOL FOR 1330-460 CM ^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution
• SOLUTION (1% IN CCl4 FOR 3800-1333, 1% IN CS2 FOR 1333-400 CM^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• gas

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, isothermal

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

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Lee's RI, non-polar column, temperature ramp

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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.

Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H., Retention-indices on OV-1 of approximately 170 commonly used pesticides, Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093 . [all data]

Van Durme, Dewulf, et al., 2007
Van Durme, J.; Dewulf, J.; Sysmans, W.; Leys, C.; Van Langenhove, H., Abatement and degradation pathways of toluene in indoor air by positive corona discharge, Chemosphere, 2007, 68, 10, 1821-1829, https://doi.org/10.1016/j.chemosphere.2007.03.053 . [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E., The Kovats indexes of some organic micropollutants on an SE54 capillary column, EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I . [all data]

Notes

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