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4-Chloro-5-methoxy-2-(trifluoromethyl)benzoic acid

CAS 2383858-06-6Formula C9H6ClF3O3MW 254.59PubChem 164895410

4-Chloro-5-methoxy-2-(trifluoromethyl)benzoic acid is a benzoic acid derivative featuring chloro, methoxy, and trifluoromethyl substituents. It is primarily intended for research and development applications as a chemical intermediate.

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

Chemical Identity

Molecular Formula

C9H6ClF3O3

Molecular Weight

254.59 g/mol

Exact Mass

253.995756

PubChem CID

164895410

SMILES String

COc1cc(C(=O)O)c(C(F)(F)F)cc1Cl

Names & Synonyms

H80895
External Identifiers
MFCD34764339

Catalog Overview

4-Chloro-5-methoxy-2-(trifluoromethyl)benzoic acid is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254. 59 g/mol. It features a benzoic acid core substituted with a chlorine atom at position 4, a methoxy group at position 5, and a trifluoromethyl group at position 2. This chemical structure places it within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, particularly as a building block or intermediate for synthesizing more complex molecules.

Use Context

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

4-Chloro-5-methoxy-2-(trifluoromethyl)benzoic acid is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. It features a benzoic acid core substituted with a chlorine atom at position 4, a methoxy group at position 5, and a trifluoromethyl group at position 2. This chemical structure places it within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, particularly as a building block or intermediate for synthesizing more complex molecules. Its precise arrangement of halogen and oxygen-containing functional groups may contribute to specific chemical reactivities or biological interactions, making it a valuable tool for structure-activity relationship studies and the exploration of novel chemical entities in academic and industrial research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline powder

Physical State

solid

Melting Point

165.0 °C

Boiling Point

400.0 °C

Density

1.5 g/cm³

Water Solubility

sparingly soluble

Flash Point

280.0 °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

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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2228229-90-9CAS 2228229-90-9
2387276-18-6CAS 2387276-18-6
1780476-24-5CAS 1780476-24-5

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 291899GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.