2-Bromo-5-(methylsulfanyl)pyrazine

Basic Information

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CAS Number

1049026-49-4

Molecular Formula

C5H5BrN2S

Molecular Weight

205.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

271 ºC

Flash Point

117 ºC

SMILES

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CSc1cnc(cn1)Br

InChI

InChI=1S/C5H5BrN2S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3

InChIKey

ADYYWEIFRRHWRJ-UHFFFAOYSA-N

LogP

1.961

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

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-Bromo-5-methylsulfanyl-pyrazine
2-Bromo-5-(methylthio)pyrazine
2-BroMo-5-(Methylsulfanyl)pyrazine
2-bromo-5-methylsulfanylpyrazine
2-BROMO-5-METHYLMERCAPTOPYRAZINE
PubChem21708
ADYYWEIFRRHWRJ-UHFFFAOYSA-N
HT705
RL00231
LS20173
MB07628
BC004664
SY018833
AB0004596
ST24042

MDL Number

MFCD09753145

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4)?

2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4) is a crystalline solid with a molecular weight of approximately 230.03 g/mol. It is slightly soluble in water but more soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive, particularly with nucleophiles. It shows good thermal stability but can decompose under strongly acidic or basic conditions.

How is 2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4) typically synthesized?

2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4) can be synthesized via the reaction of 5-(methylthio)pyrazine with bromine in the presence of a suitable base like sodium hydroxide. The reaction is carried out in a polar aprotic solvent and typically yields a high selectivity for the brominated product.

What industries use 2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4)?

2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4) is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4)?

When handling 2-Bromo-5-(methylsulfanyl)pyrazine (CAS: 1049026-49-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The material should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be well ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.