Description

Product Overview

5-Bromovaleronitrile (also known as 5-Bromopentanenitrile or 4-Bromobutyl Cyanide) CAS No.: 5414-21-1 , with the chemical formula C₅H₈BrN and a molecular weight of 162.03 g/mol. It is a clear colorless to light orange or yellow liquid. This compound belongs to the class of alkyl halides and nitriles and is primarily used in organic synthesis as a reactant and intermediate, though it is subject to safety regulations due to its toxic and irritant properties.

Properties

5-Bromovaleronitrile exhibits the following key physical and chemical properties:

• Physical State: Liquid (at room temperature).
• Appearance: Clear colorless to light orange or yellow liquid.
• Odor: Not specified.
• Melting Point: Not available.
• Boiling Point: 110-111 °C (at 12 mmHg).
• Density: 1.388 g/mL (at 25 °C).
• Solubility: Slightly soluble in water (4.1 g/L at 25 °C); miscible with organic solvents like ethanol and ether.
• Stability: Stable under normal conditions; store under inert atmosphere at 2-8 °C; incompatible with strong oxidizing agents.
• Toxicity: Moderately toxic; harmful if swallowed, in contact with skin, or inhaled; causes skin irritation, serious eye irritation, and respiratory irritation; no known carcinogenicity.

Applications

The primary applications of 5-bromovaleronitrile include:

• Organic Synthesis Intermediate: Used as a reactant to prepare key intermediates such as benzyl(methyl)amino)pentanenitrile for N-methylcadaverine synthesis; 1-cyanobutyl-3-alkylbenzimidazolium bromide salts by reaction with N-alkylbenzimidazoles; tridecanenitrile via Ni-catalyzed cross-coupling with dioctylzinc; and 5-bromo-pentanoic acid.
• Other: Employed as a building block in the production of pharmaceuticals, agrochemicals, and fine chemicals.

Classification

The following table outlines the classification of 5-bromovaleronitrile based on chemical properties, uses, and regulations: