5-Fluorouracil

• Formula: C₄H₃FN₂O₂
• Molecular weight: 130.0772
• IUPAC Standard InChI: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) Copy

  
• IUPAC Standard InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N Copy
• CAS Registry Number: 51-21-8
• 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: 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-; Fluorouracil; Uracil, 5-fluoro-; Efudex; Fluoroplex; Fluracil; Fluril; NSC 19893; Ro 2-9757; 5-Fluoro-2,4(1H,3H)-Pyrimidinedione; 5-FU; Arumel; Carzonal; Effluderm (free base); Efudix; Fluoroblastin; Fluri; FU; Kecimeton; Timazin; U-8953; Ulup; 5-Fluoro-2,4-pyrimidinedione; 5-Fluoropyrimidine-2,4-dione; 5-Ftouracyl; Adrucil; Effluderm; Efurix; 5-Fluoracil; 5-Fluor-2,4-dihydroxypyrimidin; 5-Fluor-2,4-pyrimidindiol; 5-Fluoruracil; Fluracilum; Ftoruracil; Queroplex; 2,4-Pyrimidinedione, 5-fluoro-; 5-Fluoropyrimidine-2,4-diol; Carac
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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

Enthalpy of sublimation

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.

Szterner, Kaminski, et al., 2002
Szterner, Piotr; Kaminski, Miron; Zielenkiewicz, Anna, Vapour pressures, molar enthalpies of sublimation and molar enthalpies of solution in water of five halogenated derivatives of uracil, The Journal of Chemical Thermodynamics, 2002, 34, 7, 1005-1012, https://doi.org/10.1006/jcht.2000.0987 . [all data]

Zielenkiewicz and Szterner, 2005
Zielenkiewicz, Wojciech; Szterner, Piotr, Thermodynamic Investigation of Uracil and Its Halo Derivatives. Enthalpies of Solution and Solvation in Methanol, J. Chem. Eng. Data, 2005, 50, 4, 1139-1143, https://doi.org/10.1021/je049656o . [all data]

Brunetti, Portalone, et al., 2002
Brunetti, B.; Portalone, G.; Piacente, V., Sublimation Thermodynamic Parameters for 5-Fluorouracil and Its 1-Methyl and 1,3-Dimethyl Derivatives from Vapor Pressure Measurements, J. Chem. Eng. Data, 2002, 47, 1, 17-19, https://doi.org/10.1021/je010037e . [all data]

Notes

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• Symbols used in this document:
  

  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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