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3-Chloro-2-methyl-5-(trifluoromethyl)isonicotinic acid

CAS 1369138-62-4Formula C8H5ClF3NO2MW 239.58PubChem 57367890

3-Chloro-2-methyl-5-(trifluoromethyl)isonicotinic acid is a chlorinated, methylated, and trifluoromethylated isonicotinic acid derivative. It is a heterocyclic compound containing a pyridine ring, primarily used as a building block in organic synthesis for creating complex molecules with pyridine scaffolds and various substituents.

Loading RDKit molecule structure...
InChIKey: XDEOMQZABRDQFL-UHFFFAOYSA-NC8H5ClF3NO2 | MW 239.58

Chemical Identity

Molecular Formula

C8H5ClF3NO2

Molecular Weight

239.58 g/mol

Exact Mass

238.996091

PubChem CID

57367890

IUPAC Name

3-chloro-2-methyl-5-(trifluoromethyl)pyridine-4-carboxylic acid

SMILES String

Cc1ncc(C(F)(F)F)c(C(=O)O)c1Cl

Names & Synonyms

3-chloro-2-methyl-5-(trifluoromethyl)isonicotinicacid
External Identifiers
AKOS015995121DB-356918

Catalog Overview

3-Chloro-2-methyl-5-(trifluoromethyl)isonicotinic acid, identified by CAS 1369138-62-4, is an organic compound featuring a pyridine core substituted with a chlorine atom, a methyl group, and a trifluoromethyl group, along with a carboxylic acid functionality. Its molecular formula is C8H5ClF3NO2 and its molecular weight is approximately 239. 58 g/mol. This compound belongs to the class of heterocycle building blocks, making it valuable in synthetic chemistry for constructing diverse chemical structures.

Use Context

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Read more catalog context

3-Chloro-2-methyl-5-(trifluoromethyl)isonicotinic acid, identified by CAS 1369138-62-4, is an organic compound featuring a pyridine core substituted with a chlorine atom, a methyl group, and a trifluoromethyl group, along with a carboxylic acid functionality. Its molecular formula is C8H5ClF3NO2 and its molecular weight is approximately 239.58 g/mol. This compound belongs to the class of heterocycle building blocks, making it valuable in synthetic chemistry for constructing diverse chemical structures. The presence of multiple functional groups, including a halogen, a trifluoromethyl group, and a carboxylic acid, provides multiple points for chemical modification and derivatization.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

170.0 °C

Boiling Point

320.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 3-Chloro-2-methyl-5-(trifluoromethyl)isonicotinic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for research purposes only and not for human or animal use.

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