CAS 40508-03-0

2-(Azidomethyl)benzonitrile

Description:

2-(Azidomethyl)benzonitrile is an organic compound characterized by the presence of both an azide group and a nitrile group attached to a benzene ring. The azide group (-N3) is known for its reactivity, particularly in click chemistry and as a precursor for various nitrogen-containing compounds. The nitrile group (-C≡N) contributes to the compound's polar nature and can participate in nucleophilic reactions. This compound typically appears as a crystalline solid and is soluble in organic solvents. Its molecular structure allows for potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Safety considerations are important when handling this compound due to the presence of the azide group, which can be explosive under certain conditions. Proper storage and handling protocols should be followed to mitigate risks. Overall, 2-(Azidomethyl)benzonitrile is a valuable intermediate in synthetic organic chemistry, offering diverse reactivity due to its functional groups.

Formula: C₈H₆N₄

InChI: InChI=1S/C8H6N4/c9-5-7-3-1-2-4-8(7)6-11-12-10/h1-4H,6H2

InChI key: InChIKey=DTRXXTVEVDAOME-UHFFFAOYSA-N

SMILES: C(N=[N+]=[N-])C1=C(C#N)C=CC=C1

Synonyms:

• 2-(Azidomethyl)benzonitrile
• 2-Cyanobenzyl azide
• Benzonitrile, 2-(azidomethyl)-

2-(Azidomethyl)benzonitrile

CAS: 40508-03-0

Formula: C₈H₆N₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 158.1600

Ref: IN-DA01E4FF

2-(Azidomethyl)benzonitrile

Controlled Product

CAS: 40508-03-0

Applications 2-(Azidomethyl)benzonitrile is an intermediate in the synthesis of 2-Cyanobenzylamine Acetic Acid Salt which is used in the preparation of benzazepine derivatives as histamine H3 antagonists.
References Hall, A., et al.: Bioorg. Med. Chem. Lett., 18, 4027 (2008),

Formula: C₁₂H₂₁N₅O₃·2CH₄·2H₂O

Color and Shape: Neat

Molecular weight: 351.442

Ref: TR-A822510

2-(Azidomethyl)benzonitrile

CAS: 40508-03-0

Versatile small molecule scaffold

Formula: C₈H₆N₄

Purity: Min. 95%

Molecular weight: 158.16 g/mol

Ref: 3D-QBA50803