619-65-8 | 4-Cyanobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
5g	98%	in stock	$16.00	$11.00
25g	98%	in stock	$53.00	$37.00
100g	98%	in stock	$145.00	$102.00
500g	98%	in stock	$603.00	$422.00

Description

• Catalog Number: AB48786
• Chemical Name: 4-Cyanobenzoic acid
• CAS Number: 619-65-8
• Molecular Formula: C8H5NO2
• Molecular Weight: 147.1308
• MDL Number: MFCD00002528
• SMILES: N#Cc1ccc(cc1)C(=O)O
• NSC Number: 6306

Computed Properties

• Complexity: 195
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.6

Literature

• DFT and ab initio quantum chemical studies on p-cyanobenzoic acid.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110501

• Solvent and temperature effects on diastereodifferentiating Paternó-Büchi reaction of chiral alkyl cyanobenzoates with diphenylethene upon direct versus charge-transfer excitation.

  The Journal of organic chemistry 20100820

• The Diels-Alder-reaction with inverse-electron-demand, a very efficient versatile click-reaction concept for proper ligation of variable molecular partners.

  International journal of medical sciences 20100101

• Gain of a 500-fold sensitivity on an intravital MR contrast agent based on an endohedral gadolinium-cluster-fullerene-conjugate: a new chance in cancer diagnostics.

  International journal of medical sciences 20100101

• A cyclic-RGD-BioShuttle functionalized with TMZ by DARinv 'Click Chemistry' targeted to αvβ3 integrin for therapy.

  International journal of medical sciences 20100101

• A direct white-light-emitting metal-organic framework with tunable yellow-to-white photoluminescence by variation of excitation light.

  Journal of the American Chemical Society 20090930

• Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.

  Inorganic chemistry 20090420

• Luminescent gold(I) metallo-acids and their hydrogen bonded supramolecular liquid crystalline derivatives with decyloxystilbazole as hydrogen acceptor.

  Dalton transactions (Cambridge, England : 2003) 20081228

• 4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.

  Acta crystallographica. Section E, Structure reports online 20080701

• Synthesis and characterization of CN-modified protein analogues as potential vibrational contrast agents.

  Bioorganic chemistry 20070601

• Enantioseparation and stacking of Cyanobenz[f]isoindole-amino acids by reverse polarity capillary electrophoresis and sulfated beta-cyclodextrin.

  Analytical chemistry 20070115

• A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1H)-one with 4-cyanobenzoic acid.

  Acta crystallographica. Section C, Crystal structure communications 20061001

• Crystal structures and magnetic and luminescent properties of a series of homodinuclear lanthanide complexes with 4-cyanobenzoic ligand.

  Inorganic chemistry 20060807

• Reduction of diesters of 1,2-diols. Regioselective C-O bond cleavage of the anionic forms.

  The Journal of organic chemistry 20060623

• Nitroaromatic reduction kinetics as a function of dominant terminal electron acceptor processes in natural sediments.

  Environmental science & technology 20060401

• Evidence against the hopping mechanism as an important electron transfer pathway for conformationally constrained oligopeptides.

  Journal of the American Chemical Society 20050119

• Novel peptidomimetic inhibitors of signal transducer and activator of transcription 3 dimerization and biological activity.

  Molecular cancer therapeutics 20040301

• Inhibitory effect of 4-cyanobenzaldehyde and 4-cyanobenzoic acid on mushroom (Agaricus bisporus) tyrosinase.

  Journal of protein chemistry 20031101

• Site distribution in resin beads as determined by confocal Raman spectroscopy.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20010917

• The photochemistry of 2-(1-naphthyl)ethyl benzoates: cycloaddition and intramolecular exciplex formation.

  The Journal of organic chemistry 20010504