2,4,6-Trichloro Pyrimidine CAS NO: 3764-01-0

2,4,6-Trichloropyrimidine (CAS 3764-01-0) is a halogenated heterocyclic building block, characterized as a colorless to light yellow liquid or solid that acts as a versatile intermediate in organic synthesis. It is primarily utilized in the pharmaceutical and agrochemical industries for creating complex molecules, including antivirals, anti-cancer agents, and herbicides, due to its reactivity.

Properties

CAS Number: 3764-01-0

 Molecular Formula: C4HCl3N2

Molecular Weight: 183.42 g/mol

Physical State: Clear colorless to light yellow liquid or low-melting solid (melting point 23–25°C)

Boiling Point: 210–215°C

Density: ~1.595 g/mL at 20°C

Solubility: Sparingly soluble in water

Flash Point: >110°C

Refractive Index: 1.57 (n20/D)

Stability: Stable at room temperature in closed containers, but should be stored in a cool, dry, well-ventilated area 

Synonyms

2,4,6-Trichloropyrimidin

Pyrimidine, 2,4,6-trichloro-

NSC 6494

Uses and Applications

2,4,6-Trichloropyrimidine is a highly valuable intermediate due to its ability to undergo regioselective nucleophilic aromatic substitution, particularly at the 4-position.

Pharmaceutical Intermediate: It is used as a building block for the synthesis of fused polycyclic pharmaceutical targets, such as purines and quinazolines. It is used in developing antiviral and anticancer agents, including ALK-5 and EGFR inhibitors.

Agrochemicals: It serves as a key intermediate in the synthesis of fungicides and herbicides, contributing to agricultural protection.

Analytical Chemistry: It serves as a reagent in laboratories for analytical method development and validation, and is sometimes used as a reference standard.

Material Science: It is utilized in the production of specialty polymers and coatings, providing enhanced durability. 

Safety and Handling

Hazard Rating: Classified as a corrosive, acidic, organic substance.

Irritant: Causes skin irritation (H315), eye irritation (H319), and respiratory irritation (H335).

Precaution: Use in well-ventilated areas and wear appropriate PPE (eyes, face, gloves).