3H-Pyrazol-3-one,1,2-dihydro-1,5-dimethyl-2-phenyl-

The Antipyrine is an organic compound with the formula C₁₁H₁₂N₂O. The IUPAC name of this chemical is 1,5-dimethyl-2-phenylpyrazol-3-one. With the CAS registry number 60-80-0, it is also named as 3H-pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Lipid signaling. Besides, it is a white powder, which should be stored in a closed dark and dry place. It is an analgesic and antipyretic.

Physical properties about Antipyrine are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.34; (7)ACD/KOC (pH 7.4): 33.34; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 54.55 cm³; (13)Molar Volume: 162.7 cm³; (14)Polarizability: 21.62×10^-24cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.156 g/cm³; (17)Flash Point: 114.8 °C; (18)Enthalpy of Vaporization: 56.05 kJ/mol; (19)Boiling Point: 319 °C at 760 mmHg; (20)Vapour Pressure: 0.000348 mmHg at 25°C.

Preparation: this chemical is formed by reducing diortho- dinitrodiphenyl with sodium amalgam and methyl alcohol, or by heating diphenylene-ortho-dihydrazine with hydrochloric acid to 150 °C. It crystallizes in needles which melt at 156 °C. Potassium permanganate oxidizes it to pyridazine tetracarboxylic acid.

Uses of Antipyrine: it can be used to produce N-methyl-N'-phenyl-hydrazine at temperature of 130 °C. It will need reagent alcoholic KOH-solution.

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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C(/N(N2c1ccccc1)C)C
(2)InChI: InChI=1/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
(3)InChIKey: VEQOALNAAJBPNY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
(5)Std. InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N

The toxicity data is as follows: