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2-Amino-5-iodo-4-(trifluoromethyl)benzoic acid

CAS 1427400-33-6Formula C8H5F3INO2MW 331.03PubChem 59164514

A halogenated benzoic acid derivative containing an amino group and a trifluoromethyl group, primarily used as a building block in organic synthesis for research purposes.

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

Chemical Identity

Molecular Formula

C8H5F3INO2

Molecular Weight

331.03 g/mol

Exact Mass

330.93171

PubChem CID

59164514

SMILES String

Nc1cc(C(F)(F)F)c(I)cc1C(=O)O

Names & Synonyms

Benzoic acid, 2-amino-5-iodo-4-(trifluoromethyl)-GFDBIFVBTCARSL-UHFFFAOYSA-N
External Identifiers
SCHEMBL13500098CS-0372629

Catalog Overview

2-Amino-5-iodo-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with an amino group at position 2, an iodine atom at position 5, and a trifluoromethyl group at position 4. With a molecular formula of C8H5F3INO2 and a molecular weight of 331.03 g/mol, this compound serves as a versatile chemical intermediate. Its distinct functional groups make it valuable in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research, where it can be utilized for further derivatization through reactions involving the carboxylic acid, amino, or iodo...

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Read more catalog context

2-Amino-5-iodo-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with an amino group at position 2, an iodine atom at position 5, and a trifluoromethyl group at position 4. With a molecular formula of C8H5F3INO2 and a molecular weight of 331.03 g/mol, this compound serves as a versatile chemical intermediate. Its distinct functional groups make it valuable in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research, where it can be utilized for further derivatization through reactions involving the carboxylic acid, amino, or iodo functionalities. It is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

380.0 °C

Density

1.8 g/cm³

Water Solubility

Slightly 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. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. For research use only.

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