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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.

Related Products / Graph Discovery

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

Similar products (text references)

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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.