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2-Amino-4-bromo-3,5,6-trifluoro-benzoic acid

CAS 2820536-78-3Formula C7H3BrF3NO2MW 270PubChem 164875995

This compound is a fluorinated benzoic acid derivative with an amino and bromo substituent. It is primarily intended for research and development applications, particularly in medicinal chemistry and materials science, where its unique halogenation pattern can be leveraged for synthesizing novel compounds. This product is for Research Use Only (RUO).

Loading RDKit molecule structure...
InChIKey: MBGHORPPJMNLNJ-UHFFFAOYSA-NC7H3BrF3NO2 | MW 270

Chemical Identity

Molecular Formula

C7H3BrF3NO2

Molecular Weight

270 g/mol

Exact Mass

268.92993

PubChem CID

164875995

IUPAC Name

2-amino-4-bromo-3,5,6-trifluorobenzoic acid

SMILES String

Nc1c(F)c(Br)c(F)c(F)c1C(=O)O

Names & Synonyms

F98376
External Identifiers
SCHEMBL24649465SCHEMBL30695222MFCD35115649SY391728

Catalog Overview

2-Amino-4-bromo-3,5,6-trifluoro-benzoic acid (CAS 2820536-78-3) is a highly substituted aromatic carboxylic acid featuring an amino group, a bromine atom, and three fluorine atoms on the benzene ring. With a molecular formula of C7H3BrF3NO2 and a molecular weight of 270.00, this compound presents a versatile building block for synthetic organic chemistry. Its specific substitution pattern, including the electron-withdrawing fluorine atoms and the reactive bromine and amino groups, makes it valuable for various chemical transformations, such as Suzuki-Miyaura couplings, amidation reactions, and further functionalization of the...

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Read more catalog context

2-Amino-4-bromo-3,5,6-trifluoro-benzoic acid (CAS 2820536-78-3) is a highly substituted aromatic carboxylic acid featuring an amino group, a bromine atom, and three fluorine atoms on the benzene ring. With a molecular formula of C7H3BrF3NO2 and a molecular weight of 270.00, this compound presents a versatile building block for synthetic organic chemistry. Its specific substitution pattern, including the electron-withdrawing fluorine atoms and the reactive bromine and amino groups, makes it valuable for various chemical transformations, such as Suzuki-Miyaura couplings, amidation reactions, and further functionalization of the aromatic core. It is classified within the research-oriented chemical scaffold, suggesting its potential utility in drug discovery and agrochemical research as an intermediate or scaffold. This product is for Research Use Only (RUO).

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

350.0 °C

Density

1.9 g/cm³

Water Solubility

Sparingly 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. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for Research Use Only.

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