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2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)benzoic acid

CAS 2624135-50-6Formula C10H7F5O2MW 254.15PubChem 155977951

2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)benzoic acid is a fluorinated benzoic acid derivative primarily used as a versatile building block in organic synthesis. It is particularly valuable for introducing a pentafluoroethyl group into target molecules, which is relevant for research in medicinal chemistry, agrochemicals, and materials science due to its potential to modify physicochemical properties.

Loading RDKit molecule structure...
InChIKey: NPVYOOWWGXLSLJ-UHFFFAOYSA-NC10H7F5O2 | MW 254.15

Chemical Identity

Molecular Formula

C10H7F5O2

Molecular Weight

254.15 g/mol

Exact Mass

254.03662

PubChem CID

155977951

SMILES String

Cc1cc(C(F)(F)C(F)(F)F)ccc1C(=O)O

Names & Synonyms

2-Methyl-4-(perfluoroethyl)benzoic AcidZ4925011593
External Identifiers
MFCD33550900SY464143EN300-27747413

Catalog Overview

2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)benzoic acid, identified by CAS 2624135-50-6 and molecular formula C10H7F5O2, is a synthetic organic compound. It features a benzoic acid core substituted with a methyl group at position 2 and a pentafluoroethyl group at position 4. The incorporation of the highly electronegative pentafluoroethyl moiety can confer distinct physicochemical properties, such as enhanced lipophilicity and metabolic stability, to molecules synthesized from it. This makes it a valuable intermediate for researchers in the synthesis of novel chemical entities across various fields, including medicinal chemistry,...

Use Context

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Read more catalog context

2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)benzoic acid, identified by CAS 2624135-50-6 and molecular formula C10H7F5O2, is a synthetic organic compound. It features a benzoic acid core substituted with a methyl group at position 2 and a pentafluoroethyl group at position 4. The incorporation of the highly electronegative pentafluoroethyl moiety can confer distinct physicochemical properties, such as enhanced lipophilicity and metabolic stability, to molecules synthesized from it. This makes it a valuable intermediate for researchers in the synthesis of novel chemical entities across various fields, including medicinal chemistry, agrochemical development, and advanced materials science. Its specific structural features enable precise modifications in targeted synthetic pathways for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

130.0 °C

Boiling Point

300.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

170.0 °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 (PPE), including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or a chemical fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas immediately with plenty of water and seek medical attention if necessary. Store the compound in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety guidelines before handling this material.

Related Products / Graph Discovery

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