2-Bromo-5-chloroisonicotinic acid

Basic Information

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CAS Number

530156-90-2

Molecular Formula

C6H3BrClNO2

Molecular Weight

236.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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OC(=O)c1cc(Br)ncc1Cl

InChI

InChI=1S/C6H3BrClNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,(H,10,11)

InChIKey

DUOLMMJBAYMNEL-UHFFFAOYSA-N

LogP

2.1957000000000004

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Synonyms & References

English

2-Bromo-5-chloroisonicotinic acid
2-Bromo-5-chloro-4-pyridinecarboxylic acid
2-Bromo-5-chloro-isonicotinic acid
2-bromo-5-chloropyridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 2-bromo-5-chloro-
DUOLMMJBAYMNEL-UHFFFAOYSA-N
2-Bromo-5-chloro isonicotinic acid
CB0226
AB66669
AB0042774
Z0665
ST24040141
Z2335632230

MDL Number

MFCD13181649

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Bromo-5-chloroisonicotinic acid (CAS: 530156-90-2)?

2-Bromo-5-chloroisonicotinic acid is a crystalline solid with a molecular weight of approximately 241.03 g/mol. It has a low solubility in water (0.1 g/L at 20°C) and moderate solubility in organic solvents. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from moisture and strong acids.

How is 2-Bromo-5-chloroisonicotinic acid (CAS: 530156-90-2) typically synthesized?

2-Bromo-5-chloroisonicotinic acid is typically synthesized via electrophilic aromatic substitution reactions. Common methods include the bromination and chlorination of nicotinic acid followed by condensation reactions. The synthesis often involves the use of bromine and chlorine as electrophiles, with acetic anhydride as a condensing agent. The yield is around 70-80% depending on the purity of starting materials and reaction conditions.

What industries use 2-Bromo-5-chloroisonicotinic acid (CAS: 530156-90-2)?

2-Bromo-5-chloroisonicotinic acid is primarily used in pharmaceuticals for the synthesis of certain drug intermediates. It also has applications in the production of sensors and as a precursor in semiconductor manufacturing. Its use in polymers is limited due to its reactivity and specific functional groups.

What precautions should be taken when handling 2-Bromo-5-chloroisonicotinic acid (CAS: 530156-90-2)?

When handling 2-Bromo-5-chloroisonicotinic acid, it is important to use appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a fume hood to minimize exposure to vapor. In case of spill, immediately clean up with water and absorbent material. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures. Storage should be in a cool, dry place away from direct sunlight and strong acids.