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| CAS No.: | 69249-22-5 |
|---|---|
| Name: | 6-Bromo-1,2,4-triazin-3-amine |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C3H3BrN4 |
| Molecular Weight: | 174.988 |
| Synonyms: | 3-Amino-6-Bromo-1,2,4-Triazine |
| Density: | 1.998 g/cm3 |
| Boiling Point: | 373.6 °C at 760 mmHg |
| Flash Point: | 179.7 °C |
| PSA: | 65.42000 |
| LogP: | 0.14640 |
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Specification
The CAS registry number of 6-Bromo-1,2,4-triazin-3-amine is 69249-22-5. This chemical's molecular formula is C3H3BrN4 and molecular weight is 174.9867. Its systematic name is called 6-Bromo-1,2,4-triazin-3-amine.
Physical properties about this chemical are: (1) #of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.75; (5)ACD/KOC (pH 7.4): 8.75; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 64.69Å2; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 32.45 cm3; (12)Molar Volume: 87.5 cm3; (13)Surface Tension: 85.1 dyne/cm; (14)Density: 1.998 g/cm3; (15)Flash Point: 179.7 °C; (16)Enthalpy of Vaporization: 62.09 kJ/mol; (17)Boiling Point: 373.6 °C at 760 mmHg; (18)Vapour Pressure: 8.86E-06 mmHg at 25 °C.
Uses of 6-Bromo-1,2,4-triazin-3-amine: it is used to produce other chemicals. For example, it is used to produce 6-Bromo-[1,2,4]triazine-3,5-diamine.
![6-Bromo-1,2,4-triazin-3-amine is used to produce 6-Bromo-[1,2,4]triazine-3,5-diamine](/UserFilesUpload/Uses of 6-Bromo-1,2,4-triazin-3-amine.jpg)
The reaction occurs with reagents Ammonia, Potassium permanganate and other condition of heating for 30 mins at temperature of -35 °C. The yield is 56%.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ncc(Br)nn1
(2) InChI: InChI=1/C3H3BrN4/c4-2-1-6-3(5)8-7-2/h1H,(H2,5,6,8)
(3) InChIKey: WIBIPFPOGMLYJQ-UHFFFAOYAX