4-BROMO-3-PHENYL-1H-PYRAZOL-5-AMINE

The 1H-Pyrazol-3-amine,4-bromo-5-phenyl-, with the CAS registry number 2845-78-5, is also known as 5-Amino-4-bromo-3-phenylpyrazole. It belongs to the product categories of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C₉H₈BrN₃ and formula weight is 238.08. What's more, its systematic name is 4-bromo-5-phenyl-1H-pyrazol-3-amine. It should be sealed and stored in cool and dry places. What's more, it will not decompose according to the specifications and storage.

Physical properties of 1H-Pyrazol-3-amine,4-bromo-5-phenyl- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/BCF (pH 5.5): 9.18; (5)ACD/KOC (pH 5.5): 170.12; (6)ACD/KOC (pH 7.4): 170.21; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 21.06 Å²; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 55.29 cm³; (13)Molar Volume: 144.7 cm³; (14)Surface Tension: 64.8 dyne/cm; (15)Density: 1.645 g/cm³; (16)Flash Point: 219 °C; (17)Enthalpy of Vaporization: 69.53 kJ/mol; (18)Boiling Point: 438.5 °C at 760 mmHg; (19)Vapour Pressure: 6.86E-08 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c(nnc2c1ccccc1)N
(2)InChI: InChI=1S/C9H8BrN3/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13)
(3)InChIKey: QTNVXMOPTHGCII-UHFFFAOYSA-N