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6-Bromo-2-fluoro-3-methoxy-4-(trifluoromethyl)benzoic acid

CAS 2451907-24-5Formula C9H5BrF4O3MW 317.03PubChem 154645222

This compound is a brominated, fluorinated, methoxylated, and trifluoromethyl-substituted benzoic acid derivative. Its complex structure suggests potential utility in medicinal chemistry or as a building block for synthesizing more complex molecules for research use.

Loading RDKit molecule structure...
InChIKey: MWXHDRNMVFIWGU-UHFFFAOYSA-NC9H5BrF4O3 | MW 317.03

Chemical Identity

Molecular Formula

C9H5BrF4O3

Molecular Weight

317.03 g/mol

Exact Mass

315.93582

PubChem CID

154645222

SMILES String

COc1c(C(F)(F)F)cc(Br)c(C(=O)O)c1F

Names & Synonyms

MWXHDRNMVFIWGU-UHFFFAOYSA-N
External Identifiers
starbld0034715SCHEMBL22208925

Catalog Overview

6-Bromo-2-fluoro-3-methoxy-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a bromine atom, a fluorine atom, a methoxy group, and a trifluoromethyl group. This combination of halogen and ether functionalities, along with the carboxylic acid, makes it a versatile chemical intermediate. Its molecular formula is C9H5BrF4O3 and its molecular weight is approximately 317. 03 g/mol.

Use Context

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

6-Bromo-2-fluoro-3-methoxy-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a bromine atom, a fluorine atom, a methoxy group, and a trifluoromethyl group. This combination of halogen and ether functionalities, along with the carboxylic acid, makes it a versatile chemical intermediate. Its molecular formula is C9H5BrF4O3 and its molecular weight is approximately 317.03 g/mol. Given its "druglike_bioactive_like" structural classification, it may be of interest in drug discovery research, particularly for synthesizing novel compounds with potential biological activities or as a scaffold for lead synthetic exploration studies.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

200.0 °C

Boiling Point

380.0 °C

Density

1.8 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 6-Bromo-2-fluoro-3-methoxy-4-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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