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Flunixin

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Flunixin

EINECS 255-836-0
CAS No. 38677-85-9 Density 1.403 g/cm3
PSA 62.22000 LogP 3.92360
Solubility Freely soluble in water Melting Point 136.6-137.4 °C
Formula C14H11F3N2O2 Boiling Point 378.7 °C at 760 mmHg
Molecular Weight 296.249 Flash Point 182.8 °C
Transport Information UN2811 6.1/PG 3 Appearance Crystalline solid
Safety 26-36 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 38677-85-9 (FLUNIXIN MEGLUMINE) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

2-(2-Methyl-3-trifluoromethylanilino)nicotinicacid;

Article Data 11

Flunixin Specification

The 3-Pyridinecarboxylicacid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]- is an organic compound with the formula C14H11F3N2O2. The IUPAC name of this chemical is 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid. With the CAS registry number 38677-85-9, it is also named as 1-deoxy-1-(methylamino)-D-glucitol 2-[2-methyl-3-(perfluoromethyl)anilino]nicotinate. The product's categories are Organics; Aromatics Compounds; Aromatics; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a crystalline solid.

Physical properties about 3-Pyridinecarboxylicacid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]- are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 35.37; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 97.41; (8)ACD/KOC (pH 7.4): 15.91; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 70.45 cm3; (15)Molar Volume: 211 cm3; (16)Polarizability: 27.92×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 182.8 °C; (20)Enthalpy of Vaporization: 66.1 kJ/mol; (21)Boiling Point: 378.7 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2c(c(Nc1ncccc1C(=O)O)ccc2)C
(2)InChI: InChI=1/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
(3)InChIKey: NOOCSNJCXJYGPE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
(5)Std. InChIKey: NOOCSNJCXJYGPE-UHFFFAOYSA-N

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