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CAS 400-70-4

2,4-Dichloro-5-nitrobenzotrifluoride TCI D2213

2,4-Dichloro-5-nitrobenzotrifluoride TCI D2213
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TCI D2213, 2,4-Dichloro-5-nitrobenzotrifluoride, is an aromatic intermediate that carries four substituents on a single benzene ring: two chlorine atoms, one nitro group, and one trifluoromethyl group. This concentration of electron-withdrawing substituents is precisely what makes the compound an important starting material in applied organic synthesis, particularly in the preparation of intermediates for active pharmaceutical ingredients, agrochemical products, and other fine chemicals. Working from this material, researchers can enter advanced synthetic routes directly, without having to construct that complex substitution pattern themselves from simple aromatic precursors.

The property that makes this compound so widely sought after is the degree to which its ring is activated toward nucleophilic aromatic substitution. The nitro group and the trifluoromethyl group both withdraw electron density from the ring, so the chlorine atoms become far more readily displaced by nucleophiles such as amines, alkoxides, or thiolates, even under conditions that are not especially forcing. Because the two chlorine atoms sit in different electronic environments, substitution can proceed regioselectively, allowing researchers to introduce two different nucleophiles in sequence. The trifluoromethyl group itself contributes the metabolic stability and lipophilicity that medicinal and agrochemical chemists frequently design for.

In Indonesian laboratories, this building block is used chiefly in university and institutional research groups working on organic synthesis and medicinal chemistry, as well as in the R&D units of pharmaceutical and agrochemical companies developing new candidate molecules. It is typically drawn upon at the early stages of a synthetic sequence, where a reliably characterized multi-substituted aromatic core saves considerable bench time. Method-development and analytical groups also use it as a defined reference substrate when establishing new reaction or separation procedures.

  • Pharmaceutical intermediate synthesis — the activated ring lets amine nucleophiles be installed under moderate conditions, giving rapid access to aniline-type intermediates used in building active pharmaceutical ingredient scaffolds.
  • Agrochemical research and development — the combination of nitro, chloro, and trifluoromethyl substituents matches the structural motifs commonly pursued in herbicide and insecticide candidate molecules, shortening the route to test compounds.
  • Sequential nucleophilic aromatic substitution studies — because the two chlorine atoms occupy distinct electronic environments, chemists can displace them one after another with different nucleophiles and study the regioselectivity directly.
  • Fine chemical and building-block preparation — the compound serves as a versatile non-heterocyclic core that can be elaborated with alkoxide or thiolate nucleophiles to generate libraries of substituted aromatic products.
  • Reaction methodology development — its well-defined and strongly activated structure makes it a dependable model substrate for optimizing solvent systems, bases, temperatures, and catalysts in substitution chemistry.

Brand TCI (Tokyo Chemical Industry)
CAS number 400-70-4
Molecular formula
Purity
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes available in standard TCI research and laboratory-scale packaging; please confirm the size required when ordering
Physical form
Storage keep in the tightly closed original container, in a cool, dry, well-ventilated place
  • Chemical name: 2,4-Dichloro-5-nitrobenzotrifluoride
  • Catalog code: D2213

Store the material in its original tightly closed container in a cool, dry, and well-ventilated area, away from direct sunlight, heat sources, and incompatible reagents such as strong bases and strong reducing agents. Keep containers of chemically resistant, well-sealed construction and label them clearly. As a nitroaromatic halide, the compound should be handled inside a fume hood using nitrile gloves, safety goggles, and a laboratory coat, avoiding skin contact, eye contact, and inhalation of dust or vapor. Transfer with clean, dry equipment to prevent moisture ingress, close containers immediately after use, and dispose of residues and contaminated materials as regulated chemical waste. Always consult the manufacturer's Safety Data Sheet before use.