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Basic Information

Molecular Structure:
CAS No.:	4394-00-7
Name:	Niflumic acid
Article Data:	14
Cas Database

Formula:	C₁₃H₉F₃N₂O₂
Molecular Weight:	282.222
Synonyms:	2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate;Aza-2 dimethyl-2,3 (tetrazolyl-5)-6 diphenylamino;Nicotinic acid, 2-(alpha,alpha,alpha-trifluoro-m-toluidino)-;Acidum niflumicum;Acide niflumique;Acido niflumico;2-[(3-trifluoromethyl) phenyl] amino-3-pyridine-carboxylic acid;Forenol;Actol;2-(3-(Trifluoromethyl)anilino)nicotinic acid;Landruma;Nifumic acid USP24;2-{[3-(Trifluoromethyl)phenyl]amino}nicotinic acid;carboxamido)-2-heptenoic acid Niflumic acid;3-Pyridinecarboxylic acid, 2-((3-(trifluoromethyl)phenyl)amino)-;
EINECS:	224-516-2
Density:	1.449 g/cm³
Melting Point:	203-204 °C
Boiling Point:	378 °C at 760 mmHg
Flash Point:	182.4 °C
Solubility:	19mg/L(room temperature)
Appearance:	Pale yellow crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 2811 6.1/PG 3
PSA:	62.22000
LogP:	3.61520

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Conditions

Conditions	Yield
With pyridine; toluene-4-sulfonic acid In water Heating;
With potassium iodide at 100 - 140℃; for 1.5h;

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1-(3'-trifluoromethylphenyl)-2-methyl-4H-1,2-dihydro-pyrido-<2,3-d>-<1,3>-oxazin-4-one

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Conditions

Conditions	Yield
With water In methanol at 20℃; Rate constant; pH from 4.0 to 9.0, half-live-time;

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1-(3'-trifluoromethylphenyl)-4H-1,2-dihydro-pyrido-<2,3-d>-<1,3>-oxazin-4-one

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Conditions

Conditions	Yield
With water In methanol at 20℃; Rate constant; pH from 4.0 to 9.0, half-live-time;

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1-(3'-trifluoromethylphenyl)-2-methoxy-4H-1,2-dihydro-pyrido-<2,3-d>-<1,3>-oxazin-4-one

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Conditions

Conditions	Yield
With water In methanol at 20℃; Rate constant; pH from 4.0 to 8.0, half-live-time;

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1-(3'-trifluoromethylphenyl)-2-chloromethyl-4H-1,2-dihydro-pyrido-<2,3-d>-<1,3>-oxazin-4-one

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Niflumic Acid

Conditions

Conditions	Yield
With water In methanol at 20℃; Rate constant; pH from 4.0 to 9.0, half-live-time;

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1-(3'-trifluoromethylphenyl)-2-ethoxy-4H-1,2-dihydro-pyrido-<2,3-d>-<1,3>-oxazin-4-one

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Conditions

Conditions	Yield
With water In methanol at 20℃; Rate constant; pH from 4.0 to 8.0, half-live-time;

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2-<<3-(Trifluormethyl)phenyl>amino>3-pyridincarbonsaeure-2-oxopropylester

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Conditions

Conditions	Yield
With buffer pH 8.0 In 1,4-dioxane; acetonitrile at 57℃; half-life time of hydrolysis at different pH;

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3-morpholinopropyl 2-(3-(trifluoromethyl)phenylamino)pyridine-3-carboxylate

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Conditions

Conditions	Yield
In phosphate buffer at 37℃; for 48h; pH=7.4; Kinetics; Further Variations:; Solvents; reaction times;

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4-morpholinobutyl 2-(3-(trifluoromethyl)phenylamino)pyridine-3-carboxylate

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5-(morpholin-4-yl)pentan-1-ol

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Niflumic Acid

Conditions

Conditions	Yield
In phosphate buffer at 37℃; for 48h; pH=7.4; Kinetics; Further Variations:; Solvents; reaction times;

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2-(3-trifluoromethyl-phenylamino)nicotinic acid propylcarbamoylmethyl ester

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Niflumic Acid

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glycolic acid proylamide

Conditions

Conditions	Yield
With potassium chloride In phosphate buffer; acetonitrile at 37℃; for 0.266667h; pH=7.4; Kinetics; Enzymatic reaction;

...Expand

Raw Materials

98-16-8

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Specification

The Niflumic acid, with the CAS registry number 4394-00-7, is also known as 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride. It belongs to the product categories of Acids and Derivatives; Heterocycles; Active Pharmaceutical Ingredients; API intermediates; Aromatics; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 224-516-2. This chemical's molecular formula is C₁₃H₉F₃N₂O₂ and molecular weight is 282.22. What's more, its systematic name is 2-{[3-(Trifluoromethyl)phenyl]amino}nicotinic acid. Its classification codes are: (1)Analgesics; (2)Analgesics, Non-Narcotic; (3)Anti-Inflammatory Agents; (4)Anti-inflammatory agents, non-steroidal; (5)Antirheumatic Agents; (6)Cyclooxygenase inhibitors; (7)Drug / Therapeutic Agent; (8)Enzyme Inhibitors; (9)Peripheral Nervous System Agents; (10)Reproductive Effect; (11)Sensory System Agents. Niflumic acid is a drug used for joint and muscular pain. It is categorized as an inhibitor of cyclooxygenase-2. In experimental biology, it has been employed to inhibit chloride channels. It is an analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. This chemical can be prepared by 2-chloro pyridine-3-carboxylic acid and m-trifluoromethyl aniline.

Physical properties of Niflumic acid are: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.94; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 30.54; (8)ACD/KOC (pH 7.4): 4.88; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.22 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 65.629 cm³; (15)Molar Volume: 194.738 cm³; (16)Polarizability: 26.017×10^-24cm³; (17)Surface Tension: 48.57 dyne/cm; (18)Density: 1.449 g/cm³; (19)Flash Point: 182.436 °C; (20)Enthalpy of Vaporization: 66.024 kJ/mol; (21)Boiling Point: 378.046 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Niflumic acid: it can be used to produce 2-{[3-(trifluormetil)fenil]amino}-3-piridincarboxilato de ftalidilo by heating. It will need reagents triethylamine, sodium iodide and solvent acetone with the reaction time of 2 hours. The yield is about 80%.

Niflumic acid can be used to produce 2-{[3-(trifluormetil)fenil]amino}-3-piridincarboxilato de ftalidilo by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
(2)Std. 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)
(3)Std. InChIKey: JZFPYUNJRRFVQU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intravenous	174mg/kg (174mg/kg)		United States Patent Document. Vol. #3466373,
mouse	LD50	intraperitoneal	196mg/kg (196mg/kg)		Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 68, Pg. 683, 1972.
mouse	LD50	intravenous	152mg/kg (152mg/kg)		Therapie. Vol. 22, Pg. 157, 1967.
mouse	LD50	oral	350mg/kg (350mg/kg)		United States Patent Document. Vol. #4122202,
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)		United States Patent Document. Vol. #3466373,
rat	LD50	oral	250mg/kg (250mg/kg)	BEHAVIORAL: ANALGESIA	Journal of Medicinal Chemistry. Vol. 16, Pg. 780, 1973.