4-Bromo-2-(1h-pyrazol-3-yl)phenol

The 4-Bromo-2-(1h-pyrazol-3-yl)phenol, with its CAS registry number 99067-15-9, has the systematic name of 4-bromo-2-(1H-pyrazol-5-yl)phenol. And it has the molecular formula of C₉H₇BrN₂O and the molecular weight of 239.07. Besides, for being a kind of white powder, it belongs to the product categories which include Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles; PyrazolesHeterocyclic Building Blocks. In addition, this chemical is stable in normal temperature and pressure and when store it, you should keep it in the dry and well-ventilated place, away from the strong oxidizer.

The characteristics of 4-Bromo-2-(1h-pyrazol-3-yl)phenol are as follows: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 23.31; (6)ACD/BCF (pH 7.4): 22.9; (7)ACD/KOC (pH 5.5): 331.52; (8)ACD/KOC (pH 7.4): 325.62; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.91 Ų; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 52.94 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 20.98×10^-24cm³; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.696 g/cm³; (19)Flash Point: 199.6 °C; (20)Enthalpy of Vaporization: 68.38 kJ/mol; (21)Boiling Point: 406.5 °C at 760 mmHg; (22)Vapour Pressure: 3.46E-07 mmHg at 25°C.

When you are using this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Brc1ccc(O)c(c1)c2ccnn2
(2)InChI:InChI=1/C9H7BrN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
(3)InChIKey:PNIKRSVKWZRJOK-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C9H7BrN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12) 
(5)Std. InChIKey:PNIKRSVKWZRJOK-UHFFFAOYSA-N