Triclocarban

• Formula: C₁₃H₉Cl₃N₂O
• Molecular weight: 315.582
• IUPAC Standard InChI: InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) Copy

  
• IUPAC Standard InChIKey: ICUTUKXCWQYESQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 101-20-2
• 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: Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-; Carbanilide, 3,4,4'-trichloro-; Cusiter; Cutisan; ENT 26925; Genoface; Procutene; TCC; 3,4,4'-Trichlorocarbanilide; 3,4,4'-Trichlorodiphenylurea; 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea; CP 78416; N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea; Trilocarban; NSC-72005; Solubacter; 1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea; N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea; Nipaguard TCC
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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 by: William E. Acree, Jr., James S. Chickos

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.

Ribeiro da Silva, Ribeiro da Silva, et al., 2010
Ribeiro da Silva, Maria das Dores M.C.; Ribeiro da Silva, Manuel A.V.; Freitas, Vera L.S.; Roux, Maria Victoria; Jiménez, Pilar; Dávalos, Juan Z.; Cabildo, Pilar; Claramunt, Rosa M.; Pinilla, Elena; Rosario Torres, M.; Elguero, José, Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4´-trichlorocarbanilide, The Journal of Chemical Thermodynamics, 2010, 42, 4, 536-544, https://doi.org/10.1016/j.jct.2009.11.012 . [all data]

Notes

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• Symbols used in this document:
  

  ΔsubH°

  Enthalpy of sublimation at standard conditions

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