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3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-4-(trifluoromethyl)aniline

CAS 2803281-62-9Formula C13H16BClF3NO2MW 321.53PubChem 168267168

This compound is a functionalized intermediate featuring an aniline group, a chlorine atom, a trifluoromethyl group, and a pinacol boronic ester. It is primarily intended for research and development applications, particularly in organic synthesis.

Loading RDKit molecule structure...
InChIKey: GGHLZHDPHWUDDZ-UHFFFAOYSA-NC13H16BClF3NO2 | MW 321.53

Chemical Identity

Molecular Formula

C13H16BClF3NO2

Molecular Weight

321.53 g/mol

Exact Mass

321.091471

PubChem CID

168267168

SMILES String

CC1(C)OB(c2cc(N)cc(Cl)c2C(F)(F)F)OC1(C)C

Names & Synonyms

F89532F5693865-Amino-3-chloro-2-(trifluoromethyl)phenylboronic Acid Pinacol Ester3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzenamine
External Identifiers
MFCD34792052SCHEMBL24616237SCHEMBL30520493SY354438DB-378981

Catalog Overview

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-4-(trifluoromethyl)aniline, identified by CAS 2803281-62-9, is a complex organic molecule with a molecular formula of C13H16BClF3NO2 and a molecular weight of 321. 53. This compound incorporates several key functional groups: an aniline moiety, a chlorine substituent, a trifluoromethyl group, and a pinacol boronic ester. These features make it a versatile building block in synthetic chemistry.

Use Context

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  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-4-(trifluoromethyl)aniline, identified by CAS 2803281-62-9, is a complex organic molecule with a molecular formula of C13H16BClF3NO2 and a molecular weight of 321.53. This compound incorporates several key functional groups: an aniline moiety, a chlorine substituent, a trifluoromethyl group, and a pinacol boronic ester. These features make it a versatile building block in synthetic chemistry. The pinacol boronic ester group is particularly useful for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group can impart unique electronic and steric properties, often enhancing chemical stability or lipophilicity in target molecules. The aniline and chloro groups offer additional sites for further functionalization or derivatization. This chemical is suitable for research and development purposes, especially in the synthesis of novel pharmaceutical intermediates, agrochemicals, or materials science compounds.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

140.0 °C

Boiling Point

350.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °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 3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-4-(trifluoromethyl)aniline in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. 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 and not for human or animal therapeutic or diagnostic use.

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