3041-40-5 | 2-Phenylmalononitrile

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$113.00	$79.00
250mg	95%	in stock	$131.00	$92.00
1g	95%	in stock	$387.00	$271.00
5g	95%	in stock	$1,319.00	$923.00

Description

• Catalog Number: AB39822
• Chemical Name: 2-Phenylmalononitrile
• CAS Number: 3041-40-5
• Molecular Formula: C9H6N2
• Molecular Weight: 142.1573
• MDL Number: MFCD00970100
• SMILES: N#CC(c1ccccc1)C#N
• NSC Number: 10742

Computed Properties

• Complexity: 192
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.6

Literature

• The conversion of phenylpropanedinitrile (phenylmalononitrile) into the carbanion, followed by IR spectra, ab initio and DFT force field calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20031101