ChemicalBook--->CAS DataBase List--->896160-69-3

896160-69-3

896160-69-3 Structure

896160-69-3 Structure
IdentificationBack Directory
[Name]

3-BROMO-2,5-DIAMINOPYRIDINE, 99%
[CAS]

896160-69-3
[Synonyms]

3-BROMO-2,5-DIAMINOPYRIDINE
3-Bromo-2,5-diaminopyridine,99%
3-Bromo-2,5-diaminopyridine 97%
[Molecular Formula]

C5H6BrN3
[MDL Number]

MFCD03427651
[MOL File]

896160-69-3.mol
[Molecular Weight]

188.03
Chemical PropertiesBack Directory
[Appearance]

Dark brown or violet powder
[Melting point ]

117-122°C
[Boiling point ]

337.0±37.0 °C(Predicted)
[density ]

1.6770 (rough estimate)
[refractive index ]

1.6400 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

solid
[pka]

3.82±0.49(Predicted)
[InChI]

1S/C5H6BrN3/c6-4-1-3(7)2-9-5(4)8/h1-2H,7H2,(H2,8,9)
[InChIKey]

YJENCMIONVUOCW-UHFFFAOYSA-N
[SMILES]

Nc1cnc(N)c(Br)c1
Hazard InformationBack Directory
[Chemical Properties]

Dark brown or violet powder
[Synthesis]

2-Amino-3-bromo-5-nitropyridine

15862-31-4

3-BROMO-2,5-DIAMINOPYRIDINE, 99%

896160-69-3

General procedure for the synthesis of 3-bromo-2,5-diaminopyridine from 2-amino-3-bromo-5-nitropyridine: 2-amino-3-bromo-5-nitropyridine was suspended in methanol (6.0 mL) in a 30 mL flask. A solution of ammonium chloride (5.0 eq.) in water (6.0 mL) was added, followed by iron powder (5.0 eq.). The suspension was stirred and reacted at 80°C for 2 hours. Upon completion of the reaction, the mixture was filtered while hot (~50°C). The filtrate was concentrated and purified by column chromatography (using KANTO 60N silica gel with an eluent ratio of dichloromethane/methanol = 97/3 to 92/8) to afford the target product, 3-bromo-2,5-diaminopyridine solid.

[References]

[1] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 14, p. 3853 - 3860
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36-43
[Safety Statements ]

26-36/37
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HS Code ]

29333999
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-2,5-DIAMINOPYRIDINE, 99%(896160-69-3)1HNMR
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