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)-
• 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. Sol...
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	Determi...
Tfus	476.00 ± 0.10	K	NIST

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

• 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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