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3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid

CAS 1272528-86-5Formula C9H6ClF3O3MW 254.59PubChem 67041821

3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid is a benzoic acid derivative featuring chloro, methoxy, and trifluoromethyl substituents. This research-use chemical is potentially valuable as a building block in synthetic chemistry, particularly for synthesizing novel compounds with research-oriented or bioactive properties.

Loading RDKit molecule structure...
InChIKey: JDVPVUPAFTXQDR-UHFFFAOYSA-NC9H6ClF3O3 | MW 254.59

Chemical Identity

Molecular Formula

C9H6ClF3O3

Molecular Weight

254.59 g/mol

Exact Mass

253.995756

PubChem CID

67041821

SMILES String

COc1c(Cl)cc(C(=O)O)cc1C(F)(F)F

Names & Synonyms

JDVPVUPAFTXQDR-UHFFFAOYSA-NE946283-chloro-4-methoxy-5-trifluoromethylbenzoic acid3-chloro-4-methoxy-5-(trifluoromethyl)benzoicacidF631414
External Identifiers
MFCD30723170SCHEMBL1458336CS-0193813

Catalog Overview

3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid (CAS 1272528-86-5) is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254. 59 g/mol. It is characterized by a benzoic acid core substituted with a chlorine atom at position 3, a methoxy group at position 4, and a trifluoromethyl group at position 5. This combination of functional groups makes it a versatile intermediate in organic synthesis.

Use Context

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  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid (CAS 1272528-86-5) is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. It is characterized by a benzoic acid core substituted with a chlorine atom at position 3, a methoxy group at position 4, and a trifluoromethyl group at position 5. This combination of functional groups makes it a versatile intermediate in organic synthesis. Given its structural features, it is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry research for the development of new pharmaceutical candidates or as a probe in biological studies. Researchers may explore its reactivity in various synthetic transformations, including esterification, amide formation, or further derivatization of the aromatic ring.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-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

190.0 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. 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 detailed hazard information and safe handling procedures.

Related Products / Graph Discovery

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