Niflumic acid
- Formula: C13H9F3N2O2
- Molecular weight: 282.2180
- IUPAC Standard InChIKey: JZFPYUNJRRFVQU-UHFFFAOYSA-N
- CAS Registry Number: 4394-00-7
- 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: 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-; Nicotinic acid, 2-(α,α,α-trifluoro-m-toluidino)-; Actol; Actol, analgesic; Flogovital; Forenol; Landruma; Nifluminic acid; Nifluril; UP 83; 2-[3-(Trifluoromethyl)anilino]nicotinic acid; Acide niflumique; Acido niflumico; 2-(3-(Trifluoromethyl)-phenyl)aminonicotinic acid; 2-[3-(Trifluoromethyl)anilino]-3-pyridinecarboxylic acid; Niflamol; 2-[3-(Trifluoromethyl)anilino]nicotinic acid (niflumic acid)
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 476.0 | K | N/A | Pinvidic, Gonthier-Vassal, et al., 1989 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 107.5 | kJ/mol | S-F | Perlovich, Surov, et al., 2007 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 130.2 ± 0.8 | kJ/mol | GS | Perlovich, Surov, et al., 2007 | Based on data from 355. to 396. K. See also Surov, Terekhova, et al., 2009.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
127.8 ± 0.8 | 376. | GS | Perlovich, Surov, et al., 2007 | Based on data from 355. to 396. K. See also Surov, Terekhova, et al., 2009.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
36.5 | 478. | DSC | Perlovich, Surov, et al., 2007 | See also Surov, Terekhova, et al., 2009.; AC |
35.7 | 476.4 | DSC | Romero, Bustamante, et al., 2004 | AC |
32.73 | 477.2 | N/A | Bustamante, Peña, et al., 1998 | AC |
38.0 | 476. | N/A | Pinvidic, Gonthier-Vassal, et al., 1989 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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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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 | Patti Price, Georgia Bureau of Investigation, Decatur, Georgia |
NIST MS number | 248468 |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SPB-1 | 250. | 2093. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
References
Go To: Top, Phase change data, 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.
Pinvidic, Gonthier-Vassal, et al., 1989
Pinvidic, J.J.; Gonthier-Vassal, A.; Szwarc, H.; Ceolin, R.; Toffoli, P.; Teulon, J.M.; Guechot, C.,
Niflumic acid-morniflumate phase diagram: 1. Study of the components,
Thermochim. Acta, 1989, 153, 37-45. [all data]
Perlovich, Surov, et al., 2007
Perlovich, German L.; Surov, Artem O.; Bauer-Brandl, Annette,
Thermodynamic properties of flufenamic and niflumic acids---Specific and non-specific interactions in solution and in crystal lattices, mechanism of solvation, partitioning and distribution,
Journal of Pharmaceutical and Biomedical Analysis, 2007, 45, 4, 679-687, https://doi.org/10.1016/j.jpba.2007.01.039
. [all data]
Surov, Terekhova, et al., 2009
Surov, Artem O.; Terekhova, Irina V.; Bauer-Brandl, Annette; Perlovich, German L.,
Thermodynamic and Structural Aspects of Some Fenamate Molecular Crystals,
Crystal Growth & Design, 2009, 9, 7, 3265-3272, https://doi.org/10.1021/cg900002q
. [all data]
Romero, Bustamante, et al., 2004
Romero, S.; Bustamante, P.; Escalera, B.; Cirri, M.; Mura, P.,
Characterization of the solid phases of paracetamol and fenamates at equilibrium in saturated solutions,
Journal of Thermal Analysis and Calorimetry, 2004, 77, 2, 541-554, https://doi.org/10.1023/B:JTAN.0000038993.61782.ba
. [all data]
Bustamante, Peña, et al., 1998
Bustamante, P.; Peña, M.A.; Barra, J.,
Partial solubility parameters of piroxicam and niflumic acid,
International Journal of Pharmaceutics, 1998, 174, 1-2, 141-150, https://doi.org/10.1016/S0378-5173(98)00263-4
. [all data]
Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R.,
Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns,
J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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