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1-Bromooctane (CAS NO.: 111-83-1)

1-Bromooctane (CAS NO.: 111-83-1)

CAS NO.: 111-83-1

Content:99.00%

Application: Used as an alkylating agent in the production of pharmaceuticals, agrochemicals, quaternary ammonium compounds, and dendrimers (e.g., quaternary ammonium chloride-modified poly(propylenimine) dendrimers).

Description

Product Overview

1-Bromooctane (also known as n-Octyl Bromide or Bromooctane) CAS No.: 111-83-1  , with the chemical formula C₈H₁₇Br and a molecular weight of 193.12 g/mol. It is a clear, colorless to pale yellow or yellow-brown liquid with a mild or odorless hydrocarbon-like scent. This compound belongs to the class of alkyl halides and is primarily used in organic synthesis, extraction processes, and industrial applications, though it is subject to environmental and safety regulations due to potential hazards.

Properties

1-Bromooctane exhibits the following key physical and chemical properties:

  • Physical State: Liquid (at room temperature).
  • Appearance: Clear colorless to pale yellow or yellow-brown liquid.
  • Odor: Mild or odorless.
  • Melting Point: -55 °C.
  • Boiling Point: 201 °C (lit.).
  • Density: 1.118 g/mL at 25 °C (lit.); specific gravity (20/20) 1.11.
  • Solubility: Insoluble in water; miscible with organic solvents like ethanol and ether.
  • Stability: Stable under normal conditions; flammable with a flash point of 80 °C (176 °F, closed cup) or 92 °C; vapor pressure 0.34 mmHg at 25 °C; incompatible with strong oxidants, bases, and metals.
  • Toxicity: Low to moderate toxicity; causes irritation to skin, eyes, and respiratory tract; signal word “Warning”; wear protective gear including gloves, eye protection, and respirator.

Applications

The primary applications of 1-bromooctane include:

  • Organic Synthesis Intermediate: Used as an alkylating agent in the production of pharmaceuticals, agrochemicals, quaternary ammonium compounds, and dendrimers (e.g., quaternary ammonium chloride-modified poly(propylenimine) dendrimers).
  • Solvent: Employed as an extraction solvent for determining volatile organic compounds (VOCs) in water samples and in various industrial cleaning or formulation processes.
  • Other: Involved in laboratory chemicals for professional use and in formulating additives to enhance material performance in industries.

Classification

The following table outlines the classification of 1-bromooctane based on chemical properties, uses, and regulations:

Classification TypeSpecific CategoryDescription
Chemical ClassAlkyl Halide (Bromoalkane)A primary brominated alkane, reactive in nucleophilic substitution reactions (e.g., SN2).
Usage ClassOrganic Synthesis Reagent/SolventPrimarily an intermediate for chemical synthesis and extraction processes in laboratories and industry.
Hazard ClassFlammable Liquid; Environmentally Hazardous; IrritantCombustible (storage class 10); aquatic acute/chronic 1 (H410); WGK 2 in Germany; use CO2, dry chemical, or foam for fire extinction.
Regulatory ClassControlled Chemical (REACH, TSCA)Listed for laboratory and industrial use; subject to safety data sheets and environmental release controls.

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