5-Bromo-6-fluoronicotinic acid

Basic Information

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CAS Number

29241-63-2

Molecular Formula

C6H3BrFNO2

Molecular Weight

220 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

338.618°C at 760 mmHg

Flash Point

158.591°C

Refractive Index

1.589

SMILES

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C1=C(C=NC(=C1Br)F)C(=O)O

InChI

InChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)

InChIKey

VZBMIACXKWJDNS-UHFFFAOYSA-N

LogP

1.6814

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Synonyms & References

English

AU-004/43508290
AKOS005255573
5-bromo-6-fluoronicotinic acid
MFCD11036154
3-Bromo-2-fluoro-pyridine-5-carboxylic acid
29241-63-2
GS-5805
A1-00134
3-Pyridinecarboxylicacid, 5-bromo-6-fluoro-
AC-22319
Z1269243604
DTXSID80669755
5-Bromo-6-fluoronicotinic acid, AldrichCPR
EN300-244815
5-BROMO-6-FLUOROPYRIDINE-3-CARBOXYLIC ACID
SCHEMBL487804
3-BROMO-2-FLUORO-5-PYRIDINECARBOXYLIC ACID
AMY10880
A26262
FT-0688200
3-PYRIDINECARBOXYLIC ACID, 5-BROMO-6-FLUORO-
3-Bromo-2-fluoro--pyridine-5-carboxylic acid
5-Bromo-6-fluoronicotinic acid
3-Bromo-2-fluoropyridine-5-Carboxylic Acid
5-Bromo-6-fluoro-3-pyridinecarboxylic acid
5-Bromo-6-fluoropyridine-3-carboxylic acid
3-Bromo-2-fluoro-5-pyridinecarboxylic acid
5-Brom-6-fluor-nicotinsaeure
5-bromo-6-fluoro-nicotinic acid
6-Fluoro-5-bromo-nicotinic acid
6-FLUORO-5-BROMONICOTINIC ACID

MDL Number

MFCD11036154

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Bromo-6-fluoronicotinic acid (CAS: 29241-63-2)?

5-Bromo-6-fluoronicotinic acid is a crystalline compound with a molecular weight of approximately 213.03 g/mol. It has a solubility of about 0.13 g/100 mL in water. This compound is reactive towards nucleophiles and can undergo substitution reactions. It is also acidic and can form salts with bases.

How is 5-Bromo-6-fluoronicotinic acid (CAS: 29241-63-2) typically synthesized?

5-Bromo-6-fluoronicotinic acid is commonly synthesized through the bromination of 6-fluoronicotinic acid followed by an intermolecular Friedel-Crafts acylation. The reaction typically requires a Lewis acid catalyst such as aluminum chloride. The yield is generally around 70-80%, and the process requires careful control of temperature and reaction time to achieve high purity.

What industries use 5-Bromo-6-fluoronicotinic acid (CAS: 29241-63-2)?

5-Bromo-6-fluoronicotinic acid is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs, particularly those targeting the nervous system. Additionally, it finds applications in the development of sensors and as a reagent in academic research for studying organic transformations.

What precautions should be taken when handling 5-Bromo-6-fluoronicotinic acid (CAS: 29241-63-2)?

When handling 5-Bromo-6-fluoronicotinic acid, it is essential to wear appropriate personal protective equipment (PPE) such as chemical-resistant gloves, safety goggles, and a lab coat. Work should be performed in a well-ventilated area or a fume hood to minimize exposure to the fumes. Proper spill disposal procedures should be followed, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.