1H-Pyrazole,3-(4-bromophenyl)- (73387-46-9)

The 3-(4-Bromophenyl)-1H-pyrazole with the CAS number 73387-46-9 is also called 1H-Pyrazole,3-(4-bromophenyl)-. The systematic name is 5-(4-bromophenyl)-1H-pyrazole. Its molecular formula is C₉H₇BrN₂. This chemical belongs to the following product categories: (1)Building Blocks; (2)Halogenated Heterocycles; (3)Heterocyclic Building Blocks; (4)Pyrazoles; (5)PyrazolesHeterocyclic Building Blocks.

The properties of the 3-(4-Bromophenyl)-1H-pyrazole are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 108.11; (6)ACD/BCF (pH 7.4): 108.13; (7)ACD/KOC (pH 5.5): 994.07; (8)ACD/KOC (pH 7.4): 994.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 51.05 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 20.24×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Enthalpy of Vaporization: 61.32 kJ/mol; (19)Vapour Pressure: 6.66×10^-6 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to respiratory system. What's more, it is risk of serious damage to the eyes. Therefore, you should take the following instructions. Firstly, you should wear suitable eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1ccnn1)cc2
(2)InChI: InChI=1/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
(3)InChIKey: LXDGTEBHVOKDLE-UHFFFAOYAO