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2-Amino-3-iodo-5-(trifluoromethyl)benzoic acid

CAS 1427501-94-7Formula C8H5F3INO2MW 331.03PubChem 71743068

2-Amino-3-iodo-5-(trifluoromethyl)benzoic acid is a halogenated benzoic acid derivative featuring an amino, iodo, and trifluoromethyl group. This compound is primarily utilized as a versatile building block in organic synthesis, particularly in the development of novel pharmaceutical intermediates and agrochemicals for research purposes.

Loading RDKit molecule structure...
InChIKey: FIWDJRYCTQVERO-UHFFFAOYSA-NC8H5F3INO2 | MW 331.03

Chemical Identity

Molecular Formula

C8H5F3INO2

Molecular Weight

331.03 g/mol

Exact Mass

330.93171

PubChem CID

71743068

SMILES String

Nc1c(I)cc(C(F)(F)F)cc1C(=O)O

Names & Synonyms

2-AMINO-3-IODO-5-(TRIFLUOROMETHYL)BENZOICACID
External Identifiers
SCHEMBL16676482DTXSID001248665SB82974CS-0267967EN300-25722056

Catalog Overview

2-Amino-3-iodo-5-(trifluoromethyl)benzoic acid, with CAS number 1427501-94-7 and molecular formula C8H5F3INO2, is a synthetic organic compound. It is characterized by a benzoic acid core substituted with an amino group at position 2, an iodine atom at position 3, and a trifluoromethyl group at position 5. The presence of these functional groups makes it a valuable intermediate in complex organic synthesis, enabling diverse chemical transformations. Its structural features are often leveraged in medicinal chemistry and materials science research for the creation of new compounds with specific properties.

Use Context

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  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-Amino-3-iodo-5-(trifluoromethyl)benzoic acid, with CAS number 1427501-94-7 and molecular formula C8H5F3INO2, is a synthetic organic compound. It is characterized by a benzoic acid core substituted with an amino group at position 2, an iodine atom at position 3, and a trifluoromethyl group at position 5. The presence of these functional groups makes it a valuable intermediate in complex organic synthesis, enabling diverse chemical transformations. Its structural features are often leveraged in medicinal chemistry and materials science research for the creation of new compounds with specific properties. This chemical is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

180.0 °C

Boiling Point

385.0 °C

Density

2.11 g/cm³

Water Solubility

Slightly soluble

Flash Point

165.4 °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 2-Amino-3-iodo-5-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse thoroughly with water. Consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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