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5-Bromovaleronitrile (CAS NO. : 5414-21-1)

5-Bromovaleronitrile (CAS NO. : 5414-21-1)

CAS NO : 5414-21-1

Contenu:98.00%

Application : Utilisé comme réactif pour préparer des intermédiaires clés tels que le benzyl(méthyl)amino)pentanenitrile pour la synthèse de la N-méthylcadavérine ; les sels de bromure de 1-cyanobutyl-3-alkylbenzimidazolium par réaction avec les N-alkylbenzimidazoles ; le tridécanenitrile par couplage croisé catalysé par le Ni avec le dioctylzinc ; et l'acide 5-bromo-pentanoïque.

Description

Aperçu du produit

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.

Propriétés

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

  • État physique: Liquide (à température ambiante).
  • Apparence: Clear colorless to light orange or yellow liquid.
  • Odeur: Non spécifié.
  • Point de fusion: Not available.
  • Point d'ébullition: 110-111 °C (at 12 mmHg).
  • Densité: 1.388 g/mL (at 25 °C).
  • Solubilité: Slightly soluble in water (4.1 g/L at 25 °C); miscible with organic solvents like ethanol and ether.
  • Stabilité: Stable under normal conditions; store under inert atmosphere at 2-8 °C; incompatible with strong oxidizing agents.
  • Toxicité: 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:

  • Intermédiaire de synthèse organique: 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.
  • Autres: 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:

Type de classification Catégorie spécifique Description
Classe chimique Alkyl Halide (Bromoalkane) / Nitrile A brominated alkyl nitrile, reactive in nucleophilic substitution reactions.
Classe d'utilisation Réactif de synthèse organique/Intermédiaire Primarily used as a reactant and intermediate in chemical synthesis.
Classe de danger 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.
Classe réglementaire Controlled Chemical (TSCA) Listed under  US TSCA; WGK 3 in Germany; HS Code 29269090; subject to environmental and safety controls.

Produits apparentés

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