2-Bromo-5-fluoroisonicotinic acid

Basic Information

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CAS Number

885588-12-5

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

SMILES

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

InChI

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

InChIKey

VRHKBNFQGHNLIJ-UHFFFAOYSA-N

LogP

1.6814

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Synonyms & References

English

2-Bromo-5-fluoroisonicotinic acid
2-bromo-5-fluoropyridine-4-carboxylic acid
2-BROMO-5-FLUORO-ISONICOTINIC ACID
4-Pyridinecarboxylicacid, 2-bromo-5-fluoro-
2-Bromo-4-carboxy-5-fluoropyridine
2-BROMO-5-FLUORO-4-PYRIDINECARBOXYLIC ACID
4-Pyridinecarboxylic acid, 2-bromo-5-fluoro-
2-BROMO-5-FLUORO-4-CARBOXYPYRIDINE
2-Bromo-5-Fluoro Isonicotinic Acid
BBL102308
STL556107
AM62459
AB50074
2-Bromo-5-fluo
2-Bromo-5-fluoro-4-pyridinecarboxylic acid (ACI)
2-Bromo-5-fluoropyridine-4-carboxylic acid
DB-077999
AC-27991
2-bromo-5-fluoro-isonicotinic acid, AldrichCPR
2-Bromo-5-fluoro-pyridine-4-carboxylic acid
SCHEMBL1533915
Z1269195927
885588-12-5
2-BROMO-5-FLUOROISONICOTINIC ACID
4-Pyridinecarboxylicacid,2-bromo-5-fluoro-
W-204007
EN300-113675
SY028969
CS-W000432
AKOS015834253
DTXSID10674897

MDL Number

MFCD09261246

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Bromo-5-fluoroisonicotinic acid (CAS: 885588-12-5)?

2-Bromo-5-fluoroisonicotinic acid is a crystalline solid with a molecular weight of approximately 243.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like dichloromethane. Chemically, it is moderately reactive, especially towards nucleophiles, and can undergo substitution reactions. It is also sensitive to moisture and air, making it necessary to store it in a desiccated and sealed container.

How is 2-Bromo-5-fluoroisonicotinic acid (CAS: 885588-12-5) typically synthesized?

2-Bromo-5-fluoroisonicotinic acid is typically synthesized via electrophilic aromatic substitution of nicotinic acid. The reaction involves bromination of 5-fluoronicotinic acid with bromine in the presence of a catalyst like FeBr3. The yield and selectivity can be optimized by adjusting reaction conditions such as temperature and solvent choice.

What industries use 2-Bromo-5-fluoroisonicotinic acid (CAS: 885588-12-5)?

2-Bromo-5-fluoroisonicotinic acid is primarily used in the pharmaceutical industry for the synthesis of intermediates and active pharmaceutical ingredients. It is also utilized in the chemical industry for preparing various functionalized derivatives for research and development purposes.

What precautions should be taken when handling 2-Bromo-5-fluoroisonicotinic acid (CAS: 885588-12-5)?

When handling 2-Bromo-5-fluoroisonicotinic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a fume hood and kept away from moisture and air. In case of a spill, it should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.