4-Bromo-6-chloronicotinic acid

Basic Information

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CAS Number

1256834-13-5

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

Physical State

White to Off-White

Boiling Point

365.0±42.0 °C(Predicted)

Density

1.917±0.06 g/cm3(Predicted)

Solubility

DMSO (Slightly), Methanol (Slightly)

SMILES

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c1c(c(cnc1Cl)C(=O)O)Br

InChI

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

InChIKey

FMQKQSCHFALFKI-UHFFFAOYSA-N

LogP

2.1957

pKa

1.89±0.10(Predicted)

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Synonyms & References

English

4-broMo-6-chloronicotinic acid
4-bromo-6-chloropyridine-3-carboxylic acid
3-Pyridinecarboxylic acid, 4-bromo-6-chloro-
6-chloro-4-bromonicotinic acid
4-Bromo-6-chloronicotinic acid
FMQKQSCHFALFKI-UHFFFAOYSA-N
AK167576
4-BROMO-6-CHLOROPYRIDINE-3-CARBOXYLIC ACID
CID 90134676
4-bromo-6-chloro-pyridine-3-carboxylic acid

MDL Number

MFCD18257866

FAQ

What are the physical and chemical properties of 4-Bromo-6-chloronicotinic acid (CAS: 1256834-13-5)?

4-Bromo-6-chloronicotinic acid (CAS: 1256834-13-5) is a crystalline solid with a molecular weight of approximately 228.03 g/mol. It has a solubility of about 0.13 g/L in water. Chemically, it is reactive towards basic solutions and susceptible to hydrolysis. It is not flammable but can undergo redox reactions.

How is 4-Bromo-6-chloronicotinic acid (CAS: 1256834-13-5) typically synthesized?

4-Bromo-6-chloronicotinic acid is typically synthesized through the bromination and chlorination of nicotinic acid. This process involves the use of bromine and chlorine as reagents. The reaction is carried out under reflux conditions with a suitable solvent. The yield is generally around 75-85%, with good selectivity for the desired product.

What industries use 4-Bromo-6-chloronicotinic acid (CAS: 1256834-13-5)?

4-Bromo-6-chloronicotinic acid finds applications in pharmaceutical industries for the synthesis of certain drugs, and in analytical chemistry for the development of sensors. It is also used in the preparation of other organic compounds and in the field of organic electronics.

What precautions should be taken when handling 4-Bromo-6-chloronicotinic acid (CAS: 1256834-13-5)?

When handling 4-Bromo-6-chloronicotinic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage.