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2,3,4,5,6-Pentachlorobenzyl 4-methyl-1,3-thiazole-5-carboxylate

CAS 329695-79-6Formula C12H6Cl5NO2SMW 405.5PubChem 3316728

This compound is a complex organic molecule featuring a pentachlorobenzyl group and a 4-methyl-1,3-thiazole-5-carboxylate moiety. It is intended for research use only.

Loading RDKit molecule structure...
InChIKey: YCHOCULWBZNLFI-UHFFFAOYSA-NC12H6Cl5NO2S | MW 405.5

Chemical Identity

Molecular Formula

C12H6Cl5NO2S

Molecular Weight

405.5 g/mol

Exact Mass

404.853238

PubChem CID

3316728

IUPAC Name

(2,3,4,5,6-pentachlorophenyl)methyl 4-methyl-1,3-thiazole-5-carboxylate

SMILES String

Cc1ncsc1C(=O)OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Names & Synonyms

YCHOCULWBZNLFI-UHFFFAOYSA-N(2,3,4,5,6-pentachlorophenyl)methyl4-methyl-1,3-thiazole-5-carboxylate
External Identifiers
Cl-1158AKOS005108159MS-2139

Catalog Overview

2,3,4,5,6-Pentachlorobenzyl 4-methyl-1,3-thiazole-5-carboxylate, identified by CAS 329695-79-6, is an organic chemical with the molecular formula C12H6Cl5NO2S and a molecular weight of 405. 50. Its structure incorporates a highly chlorinated benzyl group attached to a methylthiazole carboxylate via an ester linkage. This compound is provided for research and development purposes, serving as a potential building block or subject of study in synthetic organic chemistry, medicinal chemistry, or materials science, particularly where highly chlorinated aromatic systems or thiazole derivatives are of interest.

Use Context

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

2,3,4,5,6-Pentachlorobenzyl 4-methyl-1,3-thiazole-5-carboxylate, identified by CAS 329695-79-6, is an organic chemical with the molecular formula C12H6Cl5NO2S and a molecular weight of 405.50. Its structure incorporates a highly chlorinated benzyl group attached to a methylthiazole carboxylate via an ester linkage. This compound is provided for research and development purposes, serving as a potential building block or subject of study in synthetic organic chemistry, medicinal chemistry, or materials science, particularly where highly chlorinated aromatic systems or thiazole derivatives are of interest. It is for research use only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

155.0 °C

Boiling Point

380.0 °C

Density

1.55 g/cm³

Water Solubility

Insoluble

Flash Point

250.0 °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 2,3,4,5,6-Pentachlorobenzyl 4-methyl-1,3-thiazole-5-carboxylate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of exposure, seek immediate medical attention. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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