120511-74-2 | 5-Methyl-1,3-benzenediacetonitrile

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$7.00	$5.00
25g	98%	in stock	$1,315.00	$921.00

Description

• Catalog Number: AI13038
• Chemical Name: 5-Methyl-1,3-benzenediacetonitrile
• CAS Number: 120511-74-2
• Molecular Formula: C6H7ClN2O2
• Molecular Weight: 174.585
• MDL Number: MFCD07782113
• SMILES: OCCc1c(Cl)cn[nH]c1=O

Computed Properties

• Complexity: 226
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.6

Upstream Synthesis Route

(3-Cyanomethyl-5-methylphenyl)acetonitrile is a versatile chemical compound widely used in chemical synthesis due to its unique properties and reactivity. This compound serves as a valuable building block in organic synthesis, particularly in the field of pharmaceuticals and agrochemicals. The presence of the acetonitrile group allows for various functional group manipulations, making it an essential intermediate in the preparation of complex organic molecules. Additionally, the cyanomethyl and methylphenyl groups present in the structure impart specific steric and electronic properties, enabling precise control over reactivity and selectivity in multistep syntheses. The application of (3-Cyanomethyl-5-methylphenyl)acetonitrile in chemical synthesis contributes significantly to the development of novel compounds with diverse biological activities and industrial applications.