3-Chloro-2-fluoroisonicotinic acid

Basic Information

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CAS Number

741683-19-2

Molecular Formula

C6H3ClFNO2

Molecular Weight

175.55 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

261-271°C

Boiling Point

404.1°C at 760 mmHg

Density

1.576

Flash Point

198.2°C

Refractive Index

1.563

SMILES

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C1=CN=C(C(=C1C(=O)O)Cl)F

InChI

InChI=1S/C6H3ClFNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)

InChIKey

PYLURACOOBPBPM-UHFFFAOYSA-N

LogP

1.5723

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AMY6429
2-fluoro-3-chloro-isonicotinic acid
2-fluoro-3chloro-isonicotinic acid
741683-19-2
FT-0736719
3-chloro-2-fluoropyridine-4-carboxylic acid, AldrichCPR
PYLURACOOBPBPM-UHFFFAOYSA-N
AKOS006290074
AS-19833
Z1198183191
s12149
AB49339
3-Chloro-2-fluoro-isonicotinic acid
DTXSID40479236
MFCD09031169
SCHEMBL481041
CS-0134771
EN300-101597
3-CHLORO-2-FLUOROISONICOTINIC ACID
3-Chloro-2-fluoropyridine-4-carboxylic acid
J-512188
3-Chloro-2-fluoroisonicotinic acid
4-Pyridinecarboxylicacid, 3-chloro-2-fluoro-
2-fluoro-3-chloro-4-pyridinecarboxylic acid

MDL Number

MFCD09031169

FAQ

What are the physical and chemical properties of 3-Chloro-2-fluoroisonicotinic acid (CAS: 741683-19-2)?

3-Chloro-2-fluoroisonicotinic acid is a crystalline solid with a molecular weight of approximately 222.58 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is relatively stable under normal conditions but can react with bases to form its salt form. It is used in the synthesis of pharmaceuticals and other organic compounds.

How is 3-Chloro-2-fluoroisonicotinic acid (CAS: 741683-19-2) typically synthesized?

3-Chloro-2-fluoroisonicotinic acid can be synthesized through the chlorination and fluorination of nicotinic acid. Commonly, this involves reacting nicotinic acid with chlorine and fluorine gases under controlled conditions. The reaction is typically catalyzed by anhydrous aluminum chloride and yields a high purity product with good selectivity and yield.

What industries use 3-Chloro-2-fluoroisonicotinic acid (CAS: 741683-19-2)?

3-Chloro-2-fluoroisonicotinic acid is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the chemical industry for the production of intermediates and in research for developing new drug candidates. Its unique chemical structure makes it valuable for research in materials science and sensors.

What precautions should be taken when handling 3-Chloro-2-fluoroisonicotinic acid (CAS: 741683-19-2)?

When handling 3-Chloro-2-fluoroisonicotinic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be handled in a well-ventilated area or fume hood to prevent inhalation of fumes. Spills should be cleaned up with appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.