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5-ブロモバレロニトリル (CAS NO.: 5414-21-1)

5-ブロモバレロニトリル (CAS NO.: 5414-21-1)

CAS NO:5414-21-1

内容量:98.00%

用途N-メチルカダベリン合成のためのベンジル(メチル)アミノ)ペンタネニトリル、N-アルキルベンズイミダゾールとの反応による1-シアノブチル-3-アルキルベンズイミダゾリウム臭化物塩、ジオクチル亜鉛とのNi触媒クロスカップリングによるトリデカネニトリル、5-ブロモペンタン酸などの主要中間体を調製するための反応剤として使用される。.

説明

製品概要

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.

プロパティ

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

  • 物理的状態:液体(室温)。.
  • 外観: Clear colorless to light orange or yellow liquid.
  • 臭気:指定なし.
  • 融点: Not available.
  • 沸点: 110-111 °C (at 12 mmHg).
  • 密度: 1.388 g/mL (at 25 °C).
  • 溶解度: Slightly soluble in water (4.1 g/L at 25 °C); miscible with organic solvents like ethanol and ether.
  • 安定性: Stable under normal conditions; store under inert atmosphere at 2-8 °C; incompatible with strong oxidizing agents.
  • 毒性: Moderately toxic; harmful if swallowed, in contact with skin, or inhaled; causes skin irritation, serious eye irritation, and respiratory irritation; no known carcinogenicity.

アプリケーション

The primary applications of 5-bromovaleronitrile include:

  • 有機合成中間体: 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.
  • その他: Employed as a building block in the production of pharmaceuticals, agrochemicals, and fine chemicals.

分類

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

分類タイプ 特定のカテゴリー 説明
化学クラス Alkyl Halide (Bromoalkane) / Nitrile A brominated alkyl nitrile, reactive in nucleophilic substitution reactions.
利用クラス 有機合成試 験/中級 Primarily used as a reactant and intermediate in chemical synthesis.
ハザードクラス Toxic Liquid (UN 3276); Irritant Toxic (Class 6.1, Packing Group III); harmful if swallowed (H302), in contact with skin (H312), or inhaled (H331); causes skin irritation (H315), eye irritation (H319), and respiratory irritation (H335); GHS07 Warning.
規制クラス Controlled Chemical (TSCA) Listed under  US TSCA; WGK 3 in Germany; HS Code 29269090; subject to environmental and safety controls.

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