| Identification | |
| Name: | Pyrazine,2-bromo-3-methyl- |
| Synonyms: | 2-Bromo-3-methylpyrazine |
| CAS: | 120984-76-1 |
| Molecular Formula: | C5H5BrN2 |
| Molecular Weight: | 173.0106 |
| InChI: | InChI=1/C5H5BrN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.597 g/cm3 |
| Refractive index: | 1.558 |
| Specification: |
The IUPAC name of 2-Bromo-3-methylpyrazine is 2-bromo-3-methylpyrazine. With the CAS registry number 120984-76-1, it is also named as Pyrazine,2-bromo-3-methyl-. The product's molecular formula is C5H5BrN2 and its molecular weight is 173.01. The other characteristics of 2-Bromo-3-methylpyrazine can be summarized as: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.186; (4)ACD/LogD (pH 7.4): 1.186; (5)ACD/BCF (pH 5.5): 4.691; (6)ACD/BCF (pH 7.4): 4.691; (7)ACD/KOC (pH 5.5): 105.228; (8)ACD/KOC (pH 7.4): 105.229; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)XLogP3-AA: 1.2; (13)Rotatable Bond Count: 0; (14)Exact Mass: 171.963611; (15)MonoIsotopic Mass: 171.963611; (16)Heavy Atom Count: 8; (17)Complexity: 76.8; (18)Polar Surface Area: 25.78 Å2; (19)Index of Refraction: 1.558; (20)Molar Refractivity: 34.95 cm3; (21)Molar Volume: 108.341 cm3; (22)Polarizability: 13.855×10-24cm3; (23)Surface Tension: 47.025 dyne/cm; (24)Density: 1.597 g/cm3; (25)Flash Point: 71.644 °C; (26)Enthalpy of Vaporization: 41.341 kJ/mol; (27)Boiling Point: 194.851 °C at 760 mmHg; (28)Vapour Pressure: 0.605 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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