5-Bromo-3-iodoquinoline

Basic Information

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CAS Number

1416438-35-1

Molecular Formula

C9H5BrIN

Molecular Weight

333.95 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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C1=CC2=C(C=C(C=N2)I)C(=C1)Br

InChI

InChI=1S/C9H5BrIN/c10-8-2-1-3-9-7(8)4-6(11)5-12-9/h1-5H

InChIKey

ROVSCGDRAGSGQB-UHFFFAOYSA-N

LogP

3.6019000000000014

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

165

Synonyms & References

English

5-bromo-3-iodoquinoline
5-bromo-3-iodo-quinoline
CS-0445999
1416438-35-1
AKOS026751535
SB72768
quinoline, 5-bromo-3-iodo-
BS-50430
5-BROMO-3-IODOQUINOLINE
MFCD22690578

MDL Number

MFCD22690578

FAQ

What are the physical and chemical properties of 5-Bromo-3-iodoquinoline (CAS: 1416438-35-1)?

5-Bromo-3-iodoquinoline (CAS: 1416438-35-1) is a crystalline solid with a molecular weight of approximately 419.08 g/mol. It is poorly water-soluble, with a solubility of about 0.01 g/L in water. Chemically, it is highly reactive towards nucleophiles due to the electron-withdrawing nature of the bromo and iodo substituents. It is stable under normal conditions but can react with reducing agents.

How is 5-Bromo-3-iodoquinoline (CAS: 1416438-35-1) typically synthesized?

5-Bromo-3-iodoquinoline (CAS: 1416438-35-1) is typically synthesized via the bromination and subsequent iodination of quinoline. The reaction usually involves the use of N-bromosuccinimide (NBS) and N-iodosuccinimide (NIS) as brominating and iodinating agents, respectively, under appropriate conditions to achieve high yields and selectivity.

What industries use 5-Bromo-3-iodoquinoline (CAS: 1416438-35-1)?

5-Bromo-3-iodoquinoline (CAS: 1416438-35-1) is used in various industries, including pharmaceuticals, where it serves as an intermediate in drug synthesis. It is also utilized in the development of sensors for detecting specific chemicals, and in semiconductor materials due to its electronic properties.

What precautions should be taken when handling 5-Bromo-3-iodoquinoline (CAS: 1416438-35-1)?

When handling 5-Bromo-3-iodoquinoline (CAS: 1416438-35-1), it is essential to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate absorbent materials, and any waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.