529-19-1 | O-Tolunitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$26.00	$18.00
25g	>98.0%(GC)	in stock	$27.00	$19.00
100g	98%	in stock	$90.00	$63.00
500g	>98.0%(GC)	in stock	$115.00	$81.00

Description

• Catalog Number: AB52372
• Chemical Name: O-Tolunitrile
• CAS Number: 529-19-1
• Molecular Formula: C8H7N
• Molecular Weight: 117.1479
• MDL Number: MFCD00001792
• SMILES: N#Cc1ccccc1C
• NSC Number: 66549

Computed Properties

• Complexity: 131
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• XLogP3: 2.2

Literature

• Zinc oxide nanoparticles catalyzed condensation reaction of isocoumarins and 1,7-heptadiamine in the formation of bis-isoquinolinones.

  TheScientificWorldJournal 20120101

• A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201

• Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions.

  The Journal of organic chemistry 20091106

• N-[3-(2-Methyl-phen-yl)isoquinolin-1-yl]formamide.

  Acta crystallographica. Section E, Structure reports online 20090501

• 4-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

  Acta crystallographica. Section E, Structure reports online 20080201

• Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.

  Studies in mycology 20080101

• What definitively controls the photochemical activity of methylbenzonitriles and methylanisoles? Insights from theory.

  The journal of physical chemistry. A 20070705

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

• A reexamination of the adsorption of CO and nitriles on alkali-metal mordenites: characterization of multiple interactions.

  Physical chemistry chemical physics : PCCP 20050621

• Surface modification of H-ferrierite by reaction with triethoxysilane.

  The journal of physical chemistry. B 20050120

• Fourier transform infrared spectroscopic study of the adsorption of CO and nitriles on Na-mordenite: evidence of a new interaction.

  The journal of physical chemistry. B 20050120

• Activation energies for the singlet excited state processes of substituted benzenes: para, meta, and ortho isomers of methylbenzonitrile and methylanisole in acetonitrile.

  Journal of the American Chemical Society 20040728

• Cis-bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, cis-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, cis-tetrachlorobis(isobutyronitrile)tin(IV), cis-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and cis-tetrachlorobis(o-toluonitrile)tin(IV), all determined at ca 150 K.

  Acta crystallographica. Section C, Crystal structure communications 20030901

• Asymmetric synthesis of the protoberberine alkaloid (S)-(-)-xylopinine using enantiopure sulfinimines.

  The Journal of organic chemistry 20020222