874-90-8 | 4-Methoxybenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$8.00	$5.00
10g	95%	in stock	$8.00	$6.00
25g	95%	in stock	$19.00	$14.00
100g	95%	in stock	$63.00	$45.00

Description

• Catalog Number: AB70752
• Chemical Name: 4-Methoxybenzonitrile
• CAS Number: 874-90-8
• Molecular Formula: C8H7NO
• Molecular Weight: 133.14728000000002
• MDL Number: MFCD00001818
• SMILES: COc1ccc(cc1)C#N

Computed Properties

• Complexity: 139
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.9

Literature

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  Inorganic chemistry 20120716

• Synthesis of molybdenum nitrido complexes for triple-bond metathesis of alkynes and nitriles.

  Inorganic chemistry 20110704

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

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  Acta crystallographica. Section E, Structure reports online 20100601

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  Acta crystallographica. Section E, Structure reports online 20090401

• Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.

  The Journal of organic chemistry 20090306

• Oxidative reactions of tetrametal Pd(0)...Mo(II)-Mo(II)...Pd(0) clusters: electrochemical communication of two Pd(0) centers through the Mo(2) moiety and oxidative formation of a Pd(I)-Mo(II)-Mo(II)-Pd(I) array.

  Inorganic chemistry 20090302

• Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201

• A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [(99m)Tc(CO)(3)](+) or [(186/188)Re(CO)(3)](+) in CN containing biomolecules.

  Nuclear medicine and biology 20081001

• Toward prediction of alkane/water partition coefficients.

  Journal of medicinal chemistry 20080710

• A mechanistic investigation of the carbon-carbon bond cleavage of aryl and alkyl cyanides using a cationic RhIII silyl complex.

  Journal of the American Chemical Society 20030813

• Selective preparation of (E)-3-oxo-1-alkenylphosphonates by insertion of acyl chlorides and nitriles into zirconacycles.

  The Journal of organic chemistry 20020531