Niflumic acid

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%.

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: