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5-(4-bromo-2-fluoroanilino)-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylic acid

CAS 1415564-99-6Formula C15H10BrF2N3O2MW 382.16PubChem 21114161

5-(4-bromo-2-fluoroanilino)-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylic acid is a complex organic compound with the molecular formula C15H10BrF2N3O2 and a molecular weight of 382.16. This benzimidazole derivative is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: YBTSZTNYTYAQKE-UHFFFAOYSA-NC15H10BrF2N3O2 | MW 382.16

Chemical Identity

Molecular Formula

C15H10BrF2N3O2

Molecular Weight

382.16 g/mol

Exact Mass

380.99245

PubChem CID

21114161

IUPAC Name

6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylbenzimidazole-5-carboxylic acid

SMILES String

Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)O)cc21

Names & Synonyms

815-319-85-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylic acid5-((4-Bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylicacid2RUK6LP5RJCS-M1944
Show all synonyms
D72212F7894321H-Benzimidazole-6-carboxylic acid, 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-1-methyl-5-[(4-Bromo-2-fluorophenyl)amino]-4-fluoro-1-methylbenzimidazole-6-carboxylic Acid6-(4-bromo-2-fluoro-anilino)-7-fluoro-3-methyl-benzimidazole-5-carboxylic acid
External Identifiers
RefChem:530164MFCD22571244SCHEMBL2880277SCHEMBL29552961SCHEMBL29990156AKOS030621748CS-17098SY284751

Catalog Overview

This chemical, identified by CAS Number 1415564-99-6, is 5-(4-bromo-2-fluoroanilino)-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylic acid. It features a benzimidazole core substituted with a 4-bromo-2-fluoroanilino group, a fluoro group, a methyl group, and a carboxylic acid functionality. With a molecular weight of 382.16 and an exact mass of 380.992450, this compound is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry and related research fields. It is supplied for research use only.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

240.0 °C

Boiling Point

449.1 °C

Density

1.71 g/cm³

Water Solubility

5.59 × 10⁻⁶ mol/L

Flash Point

299.1 °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
  • When handling 5-(4-bromo-2-fluoroanilino)-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylic acid, always wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Work in a well-ventilated area or under a fume hood to minimize exposure. Avoid inhalation, ingestion, and skin or eye contact. Store the compound in a cool, dry place, away from incompatible materials. Dispose of waste according to local regulations for chemical waste.

Related Products / Graph Discovery

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