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CAS No.: | 54903-86-5 |
---|---|
Name: | 3-Bromo-2,6-diaminopyridine ,95% |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C5H6BrN3 |
Molecular Weight: | 188.027 |
Synonyms: | 3-Bromo-2,6-diaminopyridine;2,6-Diamino-3-bromopyridine;3-Bromopyridine-2,6-diamine; |
Density: | 1.818 g/cm3 |
Melting Point: | 171-172 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 294.238 °C at 760 mmHg |
Flash Point: | 131.751 °C |
Risk Codes: | 20/21/22-37 |
Safety: | 36/37 |
PSA: | 64.93000 |
LogP: | 2.17090 |
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The 2,6-Pyridinediamine,3-bromo-, with the CAS registry number 54903-86-5, is also known as 3-Bromo-2,6-diaminopyridine. This chemical's molecular formula is C5H6BrN3 and molecular weight is 188.03. What's more, its IUPAC name is 3-Bromopyridine-2,6-diamine.
Physical properties of 2,6-Pyridinediamine,3-bromo- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.573; (4)ACD/LogD (pH 7.4): 1.586; (5)ACD/BCF (pH 5.5): 9.169; (6)ACD/BCF (pH 7.4): 9.443; (7)ACD/KOC (pH 5.5): 168.563; (8)ACD/KOC (pH 7.4): 173.607; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.93 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 40.507 cm3; (15)Molar Volume: 103.402 cm3; (16)Polarizability: 16.058×10-24 cm3; (17)Surface Tension: 74.301 dyne/cm; (18)Density: 1.818 g/cm3; (19)Flash Point: 131.751 °C; (20)Enthalpy of Vaporization: 53.386 kJ/mol; (21)Boiling Point: 294.238 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
Preparation: this chemical can be prepared by pyridine-2,6-diamine. This reaction will need reagent bromine.
Uses of 2,6-Pyridinediamine,3-bromo-: it can be used to produce 3-bromo-2,6-difluoropyridine. It will need reagents HF, NaNO2, ammonium bifluoride. The yield is about 49%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1Br)N)N
(2)InChI: InChI=1S/C5H6BrN3/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H4,7,8,9)
(3)InChIKey: JCJSQTQQPDJROR-UHFFFAOYSA-N