1-BENZYL-3-HYDROXY-1H-INDAZOLE

 The 1-Benzyl-3-hydroxy-1H-indazole, with the CAS registry number 2215-63-6, is also known as 1-Benzyl-1H-indazol-3-ol. It belongs to the product categories of Indoles and derivatives; Aromatics; Intermediates; Indazoles. Its EINECS number is 218-680-4. This chemical's molecular formula is C₁₄H₁₂N₂O and molecular weight is 224.26. What's more, its systematic name is 1-Benzyl-1,2-dihydro-3H-indazol-3-one. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as an intermediate of benzydamine hydrochloride.

Physical properties of 1-Benzyl-3-hydroxy-1H-indazole are: (1)ACD/LogP: 2.595; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.60; (4)ACD/LogD (pH 7.4): 2.60; (5)ACD/BCF (pH 5.5): 55.19; (6)ACD/BCF (pH 7.4): 55.19; (7)ACD/KOC (pH 5.5): 614.37; (8)ACD/KOC (pH 7.4): 614.40; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.34 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 65.415 cm³; (15)Molar Volume: 180.419 cm³; (16)Polarizability: 25.933×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 215.3 °C; (20)Enthalpy of Vaporization: 71.47 kJ/mol; (21)Boiling Point: 432.3 °C at 760 mmHg; (22)Vapour Pressure: 4.42E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dihydro-indazol-3-one and chloromethyl-benzene. This reaction will need reagent NaOH and solvent ethanol. The yield is about 99%.

Uses of 1-Benzyl-3-hydroxy-1H-indazole: it can be used to produce trifluoro-methanesulfonic acid 1-benzyl-1H-indazol-3-yl ester. It will need reagent pyridine and solvent CH₂Cl₂. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical 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 wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1N(N2)Cc3ccccc3
(2)Std. InChI: InChI=1S/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
(3)Std. InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N