3-Chloro-5-methoxyisonicotinic acid

Basic Information

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CAS Number

214976-36-0

Molecular Formula

C7H6ClNO3

Molecular Weight

187.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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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COC1=CN=CC(=C1C(=O)O)Cl

InChI

InChI=1S/C7H6ClNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3H,1H3,(H,10,11)

InChIKey

PAUHOSGGUVTDAE-UHFFFAOYSA-N

LogP

1.4418

Topological Polar Surface Area

59.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

176

Synonyms & References

English

3-Chloro-5-methoxyisonicotinic acid
3-chloro-5-methoxy-4-Pyridinecarboxylic acid
3-chloro-5-methoxypyridine-4-carboxylic acid
DB-357000
3-Chloro-5-methoxyisonicotinicacid
3-Chloro-5-methoxy-4-pyridinecarboxylic acid
SCHEMBL5201967
MFCD18256978
DS-3751
AKOS016004283
214976-36-0
DTXSID00440700

MDL Number

MFCD18256978

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0)?

3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0) is a crystalline solid with a molecular weight of approximately 224.59 g/mol. It has a melting point of about 200-202°C and a solubility of about 35 mg/L in water. This compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight and moisture.

How is 3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0) typically synthesized?

3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0) is commonly synthesized via the condensation of 3-chloroisonicotinic acid with methanol in the presence of an acid catalyst such as sulfuric acid. The reaction typically yields a mixture that requires purification steps including recrystallization to obtain the pure compound. The process is selective and often gives good yields, around 70-80%.

What industries use 3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0)?

3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0) finds application in the pharmaceutical industry for the synthesis of certain drugs due to its biological activity. It is also used in the production of organic semiconductors and sensors. Due to its chemical properties, it is sometimes employed in polymer chemistry for modifying polymers' properties. Its specific uses vary depending on the industry and the desired end product.

What precautions should be taken when handling 3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0)?

When handling 3-Chloro-5-methoxyisonicotinic acid (CAS: 214976-36-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its potential volatility. In case of a spill, ensure proper disposal according to local regulations and consult the Safety Data Sheet (SDS) for specific instructions. Always store the compound in a cool, dry place away from incompatible materials.