3-Bromo-4-pyridinethiol

Basic Information

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CAS Number

82264-72-0

Molecular Formula

C5H4BrNS

Molecular Weight

190.07 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

SMILES

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c1cncc(c1S)Br

InChI

InChI=1S/C5H4BrNS/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)

InChIKey

JXMSCHXZXYCDEM-UHFFFAOYSA-N

LogP

2.1328

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

171

Synonyms & References

English

3-Bromopyridine-4-thiol
4-Pyridinethiol, 3-bromo-
3-Bromo-4-mercaptopyridine
3-bromo-1H-pyridine-4-thione
4(1H)-Pyridinethione, 3-bromo-
AMY38896
SY031436

MDL Number

MFCD28337455

FAQ

What are the physical and chemical properties of 3-Bromo-4-pyridinethiol (CAS: 82264-72-0)?

3-Bromo-4-pyridinethiol (CAS: 82264-72-0) is a crystalline solid with a molecular weight of approximately 196.02 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive and undergoes substitution reactions. It has a characteristic odor and is sensitive to heat and light.

How is 3-Bromo-4-pyridinethiol (CAS: 82264-72-0) typically synthesized?

3-Bromo-4-pyridinethiol can be synthesized by the reaction of 4-pyridinethiol with bromine in the presence of a suitable solvent. Common solvents include dichloromethane or ethanol. The reaction is carried out at room temperature, and the use of a catalyst such as iron(III) chloride can improve the yield and selectivity. The overall reaction is highly exothermic and requires careful handling to prevent the formation of unwanted by-products.

What industries use 3-Bromo-4-pyridinethiol (CAS: 82264-72-0)?

3-Bromo-4-pyridinethiol (CAS: 82264-72-0) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving sulfur-containing functionalities. It is also utilized in the production of sensors for detecting various gases and in the development of organic semiconductors for electronic devices. Additionally, it plays a role in the manufacturing of some polymers with specific chemical properties.

What precautions should be taken when handling 3-Bromo-4-pyridinethiol (CAS: 82264-72-0)?

When handling 3-Bromo-4-pyridinethiol (CAS: 82264-72-0), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from sources of heat and light. Working with it should be done in a fume hood to minimize inhalation risks. In case of a spill, it is recommended to use appropriate absorbent materials and dispose of them according to local regulations. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions.