Chemical Properties of Niflumic acid (CAS 4394-00-7)

InChI

InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)

InChI Key

JZFPYUNJRRFVQU-UHFFFAOYSA-N

Formula

C13H9F3N2O2

SMILES

O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

282.22

CAS

4394-00-7

Other Names

• 2-(3-(Trifluoromethyl)-phenyl)aminonicotinic acid
• 2-[3-(Trifluoromethyl)anilino]-3-pyridinecarboxylic acid
• 2-[3-(Trifluoromethyl)anilino]nicotinic acid
• 2-[3-(Trifluoromethyl)anilino]nicotinic acid (niflumic acid)
• 2-[[3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid
• 3- pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
• 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
• Acide niflumique
• Acido niflumico
• Actol
• Actol, analgesic
• Flogovital
• Forenol
• Landruma
• Nicotinic acid, 2-(«alpha»,«alpha»,«alpha»-trifluoro-m-toluidino)-
• Niflamol
• Nifluminic acid
• Nifluril
• UP 83

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔsubH°	130.20 ± 0.80	kJ/mol	NIST
ΔvapH°	107.50	kJ/mol	NIST
log10WS	-4.00		Aq. Solubility Prediction
logPoct/wat	3.542		Crippen Calculated Property
McVol	179.220	ml/mol	McGowan Calculated Property
Inp	2093.00		NIST
Tfus	[476.00; 477.15]	K
Tfus	477.15	K	Determination, correlation and prediction of the solubilities of niflumic acid, clofenamic acid and tolfenamic acid in supercritical CO2
Tfus	476.00 ± 0.10	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[32.73; 38.00]	kJ/mol	[476.00; 478.00]
ΔfusH	38.00	kJ/mol	476.00	NIST
ΔfusH	35.70	kJ/mol	476.40	NIST
ΔfusH	32.73	kJ/mol	477.20	NIST
ΔfusH	36.50	kJ/mol	478.00	NIST
ΔsubH	127.80 ± 0.80	kJ/mol	375.50	NIST

Similar Compounds

Find more compounds similar to Niflumic acid.

Mixtures

• Carbon dioxide + Niflumic acid
• n-Hexane + Niflumic acid
• Carbon Tetrachloride + Niflumic acid
• Acetonitrile + Niflumic acid
• Benzene, chloro- + Niflumic acid
• Ethanol + Niflumic acid
• Trichloromethane + Niflumic acid
• Acetone + Niflumic acid

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Determination, correlation and prediction of the solubilities of niflumic acid, clofenamic acid and tolfenamic acid in supercritical CO2
• Solubilities of Organic Semiconductors and Nonsteroidal Anti-inflammatory Drugs in Pure and Mixed Organic Solvents: Measurement and Modeling with Hansen Solubility Parameter
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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