5-Fluorouracil
- Formula: C4H3FN2O2
- Molecular weight: 130.0772
- IUPAC Standard InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N
- 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
The 3d structure may be viewed using Java or Javascript. - 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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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 133.2 ± 2.1 | kJ/mol | ME | Szterner, Kaminski, et al., 2002 | See also Zielenkiewicz and Szterner, 2005. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference |
---|---|---|---|
150. ± 2. | 421. to 483. | TE | Brunetti, Portalone, et al., 2002 |
129.9 | 394. to 401. | ME | Szterner, Kaminski, et al., 2002 |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Source reference | COBLENTZ NO. 05062 |
Date | 1962/12/13 |
Name(s) | 5-fluoro-2,4(1H,3H)-pyrimidinedione 5-FLUOROURACIL |
State | SOLID (KBr DISC) |
Instrument | PERKIN-ELMER 21 (GRATING) |
Instrument parameters | FILTER AT ABOUT 10 MICRONS |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, References, Notes
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
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-5016 |
NIST MS number | 230123 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
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
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- 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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