3-Amino-4-bromo-2-methylpyrazole

The 3-Amino-4-bromo-2-methylpyrazole, with the CAS registry number 105675-85-2, is also known as 3-Amino-4-bromo-2-methylpyrazole. It belongs to the product categories of Nucleotides and Nucleosides; Heterocyclic; Nucleotide. This chemical's molecular formula is C₄H₆BrN₃ and molecular weight is 176.01. What's more, its systematic name is 4-Bromo-1-methyl-1H-pyrazol-5-amine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, dark and dry place. What's more, it should be protected from oxides.

Physical properties of 3-Amino-4-bromo-2-methylpyrazole are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.48; (8)ACD/KOC (pH 7.4): 28.49; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 34.72 cm³; (15)Molar Volume: 92 cm³; (16)Polarizability: 13.76×10^-24 cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.91 g/cm³; (19)Flash Point: 119.9 °C; (20)Enthalpy of Vaporization: 51.3 kJ/mol; (21)Boiling Point: 274.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00535 mmHg at 25 °C.

Uses of 3-Amino-4-bromo-2-methylpyrazole: it can be used to produce N-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-2-chloro-acetamide at the temperature of 0 °C. It will need reagent Et₃N and solvent Tetrahydrofuran with the reaction time of 10 hours. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and respiratory system. It is danger of very serious irreversible effects. 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 clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnn(c1N)C
(2)InChI: InChI=1/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
(3)InChIKey: ODFDZOQJRPDQDF-UHFFFAOYAF