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Name |
2-Pyrazinamine,5-bromo-3-methyl- |
EINECS | N/A |
CAS No. | 74290-67-8 | Density | 1.7 g/cm3 |
PSA | 51.80000 | LogP | 1.71090 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H6BrN3 | Boiling Point | 272.381 °C at 760 mmHg |
Molecular Weight | 188.027 | Flash Point | 118.532 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-5-bromo-3-methylpyrazine;5-Bromo-3-methylpyrazin-2-amine;Pyrazinamine,5-bromo-3-methyl- (9CI); |
Article Data | 3 |
The 2-Pyrazinamine,5-bromo-3-methyl-, with the CAS registry number 74290-67-8, is also known as 2-Amino-5-bromo-3-methylpyrazine. Its systematic name is 5-Bromo-3-methylpyrazin-2-amine. This chemical's molecular formula is C5H6BrN3 and molecular weight is 188.03.
Physical properties of 2-Pyrazinamine,5-bromo-3-methyl- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 101; (8)ACD/KOC (pH 7.4): 101; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 39.187 cm3; (15)Molar Volume: 110.621 cm3; (16)Polarizability: 15.535×10-24 cm3; (17)Surface Tension: 61.31 dyne/cm; (18)Density: 1.7 g/cm3; (19)Flash Point: 118.532 °C; (20)Enthalpy of Vaporization: 51.066 kJ/mol; (21)Boiling Point: 272.381 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-methyl-pyrazin-2-ylamine at the ambient temperature. This reaction will need reagents bromine, pyridine and solvent CHCl3 with the reaction time of 0.5 hour. The yield is about 84%.
Uses of 2-Pyrazinamine,5-bromo-3-methyl-: it can be used to produce 3-methyl-pyrazin-2-ylamine at the temperature of 25 °C. It will need reagents Et3N, hydrogen and solvent ethyl acetate with the reaction time of 40 min. This reaction will also need catalyst 5 percent Pd-C. The yield is about 100%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=CN=C1N)Br
(2)InChI: InChI=1S/C5H6BrN3/c1-3-5(7)8-2-4(6)9-3/h2H,1H3,(H2,7,8)
(3)InChIKey: VZZCBPAGRWGQDG-UHFFFAOYSA-N