1H-Pyrazole,4-bromo-1-phenyl- (15115-52-3)

The 4-Bromo-1-phenyl-1H-pyrazole, with the CAS registry number 15115-52-3, is also called 4-Bromo-1-phenylpyrazole. It belongs to the following product categories: Azoles; blocks; Bromides. And the molecular formula of the chemical is C₉H₇BrN₂. What's more, it is a kind of irritant chemical, so you should be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å²; (7)Index of Refraction: 1.64; (8)Molar Refractivity: 53.48 cm³; (9)Molar Volume: 148.4 cm³; (10)Polarizability: 21.2×10^-24cm³; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.5 g/cm³; (13)Flash Point: 133 °C; (14)Enthalpy of Vaporization: 51.45 kJ/mol; (15)Boiling Point: 296.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00256 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cn(nc1)c2ccccc2
(2)InChI: InChI=1/C9H7BrN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
(3)InChIKey: DWPRPWBNLNTEFZ-UHFFFAOYAO