40888-26-4 | 2-Ethynylbenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$31.00	$22.00
1g	97%	in stock	$123.00	$87.00
25g	97%	in stock	$2,499.00	$1,749.00

Description

• Catalog Number: AF70484
• Chemical Name: 2-Ethynylbenzonitrile
• CAS Number: 40888-26-4
• Molecular Formula: C9H5N
• Molecular Weight: 127.1427
• MDL Number: MFCD08703475
• SMILES: N#Cc1ccccc1C#C

Computed Properties

• Complexity: 199
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.1

Literature

• A chemical dynamics, kinetics, and theoretical study on the reaction of the cyano radical (CN; X(2)Sigma+) with phenylacetylene (C6H5CCH; X(1)A1).

  Physical chemistry chemical physics : PCCP 20100821