Hexachlorophene

• Formula: C₁₃H₆Cl₆O₂
• Molecular weight: 406.904
• IUPAC Standard InChI: InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2 Copy

  
• IUPAC Standard InChIKey: ACGUYXCXAPNIKK-UHFFFAOYSA-N Copy
• CAS Registry Number: 70-30-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Phenol, 2,2'-methylenebis[3,4,6-trichloro-; pHisoHex; Acigena; Almederm; AT-7; B 32; Bis(2-Hydroxy-3,5,6-trichlorophenyl)methane; Bis(3,5,6-trichloro-2-hydroxyphenyl)methane; Compound G-11; Cotofilm; Distodin; Exofene; Fesia-sin; Fostril; G-11; Gamophen; Gamophene; Germa-Medica; Hexabalm; Hexachlorofen; Hexachlorophen; Hexafen; Hexophene; Hexosan; Nabac; Neosept V; Ritosept; Septisol; Septofen; Steral; Steraskin; Surgi-Cen; Surofene; Tersaseptic; Trichlorophene; 2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane; 2,2'-Methylenebis[3,4,6-trichlorophenol]; 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; AT-17; Bis-2,3,5-trichlor-6-hydroxyfenylmethan; Dermadex; Fomac; G-Eleven; Hexachlorophane; Hexide; HCP; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl); NCI-C02653; Phisodan; Surgi-Cin; Turgex; 2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane; Bilevon; G-II; Isobac; Isobac 20; Nabac 25 EC; RCRA Waste number U132; UN 2875; Bivelon; Fascol; Soy-Dome; Ster-zac; Bis[3,4,6-trichlorophenol], 2,2'-methylene-
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

Enthalpy of fusion

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
• SOLID (KBr DISC); PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution
• SOLID (MINERAL OIL MULL); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution
• SOLUTION 6.7% (CS2 FOR 7.3-15 microns, AND C2Cl4 FOR 2-7.3 microns); PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

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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References

Go To: Top, 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.

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]

Grady, Hays, et al., 1973
Grady, L.T.; Hays, S.E.; King, R.H.; Klein, H.R.; Mader, W.J.; Wyatt, D.K.; Zimmere, R.O., Drug purity profiles, J. Pharm. Sci., 1973, 62, 459. [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]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [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]

Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F., Use of the retention index in gas chromatographic studies of drugs, J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185 . [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]

Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion

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