5-Bromo-3-ethynyl-2-pyrazinamine

Basic Information

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CAS Number

1209289-08-6

Molecular Formula

C6H4BrN3

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C#Cc1nc(Br)cnc1N

InChI

InChI=1S/C6H4BrN3/c1-2-4-6(8)9-3-5(7)10-4/h1,3H,(H2,8,9)

InChIKey

ZSNRFVADJWPLOF-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

162

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Amino-5-bromo-3-ethynylpyrazine
5-bromo-3-ethynylpyrazin-2-amine
QC-6864
ZSNRFVADJWPLOF-UHFFFAOYSA-N
5-Bromo-3-ethynyl-2-pyrazinamine
FCH880142
5-bromo-3-ethynyl-pyrazin-2-ylamine
WT82738
RL00871
BC004749
AX8158118
ST24027735
X9456
5-bromo-3-ethynyl-pyrazin-2-amine

MDL Number

MFCD09999142

FAQ

What are the physical and chemical properties of 5-Bromo-3-ethynyl-2-pyrazinamine (CAS: 1209289-08-6)?

5-Bromo-3-ethynyl-2-pyrazinamine is a crystalline solid with a molecular weight of approximately 252.05 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like dimethyl sulfoxide (DMSO). The compound is moderately reactive, particularly with nucleophiles, and can undergo substitution reactions. It is not highly volatile but may react with strong bases or acids under certain conditions.

How is 5-Bromo-3-ethynyl-2-pyrazinamine (CAS: 1209289-08-6) typically synthesized?

5-Bromo-3-ethynyl-2-pyrazinamine is commonly synthesized through a multi-step process involving the formation of an intermediate pyrazine derivative, followed by bromination and ethynylation. The reaction typically uses reagents like bromine and ethyne in the presence of a suitable catalyst. The final product is isolated by recrystallization from a suitable solvent.

What industries use 5-Bromo-3-ethynyl-2-pyrazinamine (CAS: 1209289-08-6)?

5-Bromo-3-ethynyl-2-pyrazinamine finds applications in pharmaceuticals, where it can be used as a precursor for the synthesis of other compounds with therapeutic potential. It is also utilized in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-Bromo-3-ethynyl-2-pyrazinamine (CAS: 1209289-08-6)?

Proper handling of 5-Bromo-3-ethynyl-2-pyrazinamine requires the use of personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. It should be stored under inert conditions and handled in a fume hood to minimize exposure to air. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed guidance on handling and storage.