6-Chloro-3-pyridazinecarbonitrile
[CAS# 35857-89-7]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridazine
• Name: 6-Chloro-3-pyridazinecarbonitrile
• Molecular Formula: C₅H₂ClN₃
• Molecular Weight: 139.54
• CAS Registry Number: 35857-89-7
• EC Number: 819-708-3
• SMILES: C1=CC(=NN=C1C#N)Cl

Properties

• Density: 1.4±0.1 g/cm³ Calc.^*
• Boiling point: 335.1±22.0 ºC 760 mmHg (Calc.)^*
• Flash point: 156.5±22.3 ºC (Calc.)^*
• Index of refraction: 1.568 (Calc.)^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H312-H332
• Precautionary Statements: P261-P264-P270-P271-P280-P301+P317-P302+P352-P304+P340-P317-P321-P330-P362+P364-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	4	H312

Discovory and Applicatios

6-Chloro-3-pyridazinecarbonitrile is an organic compound that belongs to the class of pyridazine derivatives, which are heterocyclic compounds containing two nitrogen atoms in a six-membered ring. This compound consists of a pyridazine ring with a cyano group (-C≡N) attached to the 3-position and a chlorine atom attached to the 6-position of the ring.

The structure of 6-chloro-3-pyridazinecarbonitrile makes it a useful intermediate in organic synthesis. The nitrile group, a highly reactive functional group, is known for its ability to undergo various nucleophilic substitution and addition reactions, allowing for the introduction of diverse functional groups. The presence of the chloro group on the pyridazine ring also contributes to the reactivity of the compound, making it suitable for further functionalization in synthetic chemistry.

This compound finds applications in the development of pharmaceuticals, agrochemicals, and materials science. The pyridazine nucleus is a key component in the design of biologically active molecules, and the nitrile group is frequently involved in reactions that lead to the formation of biologically active compounds. Additionally, halogenated pyridazine derivatives, like 6-chloro-3-pyridazinecarbonitrile, can possess useful properties such as antimicrobial, anticancer, and anti-inflammatory activities.

In the context of agrochemicals, 6-chloro-3-pyridazinecarbonitrile could serve as a precursor for the synthesis of crop protection agents, herbicides, or insecticides. Its potential biological activity, combined with its reactivity, makes it a useful building block for the design and development of new chemical entities with targeted biological effects.

In materials science, pyridazine derivatives have been explored for their potential use in electronic materials, conducting polymers, and other advanced materials. The presence of both a cyano group and a halogenated pyridine ring in 6-chloro-3-pyridazinecarbonitrile may confer certain electronic properties, which could be of interest in the development of specialized materials for sensors, displays, and other applications.

In summary, 6-chloro-3-pyridazinecarbonitrile is an important intermediate compound with applications in organic synthesis, pharmaceuticals, agrochemicals, and materials science. Its structure, which combines a pyridazine ring with a cyano and chloro group, makes it a valuable building block for further chemical transformations and the creation of compounds with potential biological and material properties.